N-[1-(3,5-difluorophenyl)-4-[[7-ethyl-5-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-3-hydroxybutan-2-yl]acetamide

C30H35F2N3O2 — CID 11677832

IUPACN-[1-(3,5-difluorophenyl)-4-[[7-ethyl-5-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-3-hydroxybutan-2-yl]acetamide
SMILESCCc1cc(-c2ccc(C)cn2)c2c(c1)C(NCC(O)C(Cc1cc(F)cc(F)c1)NC(C)=O)CCC2
InChIInChI=1S/C30H35F2N3O2/c1-4-20-12-25-24(26(13-20)28-9-8-18(2)16-33-28)6-5-7-27(25)34-17-30(37)29(35-19(3)36)14-21-10-22(31)15-23(32)11-21/h8-13,15-16,27,29-30,34,37H,4-7,14,17H2,1-3H3,(H,35,36)
InChIKeyHIVJOTFBVYOKEG-UHFFFAOYSA-N
MW507.63 g/mol
LogP4.97
Rot. Bonds9

About N-[1-(3,5-difluorophenyl)-4-[[7-ethyl-5-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-3-hydroxybutan-2-yl]acetamide

N-[1-(3,5-difluorophenyl)-4-[[7-ethyl-5-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-3-hydroxybutan-2-yl]acetamide (PubChem CID 11677832) has the molecular formula C30H35F2N3O2 and a molecular weight of 507.63 g/mol. Its IUPAC name is N-[1-(3,5-difluorophenyl)-4-[[7-ethyl-5-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-3-hydroxybutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-(3,5-difluorophenyl)-4-[[7-ethyl-5-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-3-hydroxybutan-2-yl]acetamide
PubChem CID11677832
Molecular FormulaC30H35F2N3O2
Molecular Weight507.63 g/mol
Exact Mass507.27
IUPAC NameN-[1-(3,5-difluorophenyl)-4-[[7-ethyl-5-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-3-hydroxybutan-2-yl]acetamide
SMILESCCc1cc(-c2ccc(C)cn2)c2c(c1)C(NCC(O)C(Cc1cc(F)cc(F)c1)NC(C)=O)CCC2
InChIInChI=1S/C30H35F2N3O2/c1-4-20-12-25-24(26(13-20)28-9-8-18(2)16-33-28)6-5-7-27(25)34-17-30(37)29(35-19(3)36)14-21-10-22(31)15-23(32)11-21/h8-13,15-16,27,29-30,34,37H,4-7,14,17H2,1-3H3,(H,35,36)
InChIKeyHIVJOTFBVYOKEG-UHFFFAOYSA-N
XLogP4.97
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.63
LogP ≤ 54.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3,5-difluorophenyl)-3-[[7-ethyl-5-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-hydroxybutyl]acetamide
CID 90845108
N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethyl-5,6,7,8-tetrahydroquinolin-5-yl)amino]-3-hydroxybutan-2-yl]acetamide
CID 58909387
N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[[(5R)-3-ethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]amino]-3-hydroxybutan-2-yl]acetamide
CID 68538482
N-[4-[(7-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-1-(3-fluoro-5-hydroxyphenyl)-3-hydroxybutan-2-yl]acetamide
CID 11546117
N-[(2S,3S)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[7-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butan-2-yl]acetamide
CID 68536936
N-[4-[(7-butyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide
CID 11503190
N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[(1S)-7-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butan-2-yl]acetamide
CID 68668407
N-[(2S,3S)-1-(3,5-difluorophenyl)-4-[[(1S)-7-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-3-hydroxybutan-2-yl]ethanethioamide
CID 87488010
N-[1-(3,5-difluorophenyl)-4-[[(1S)-7-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-3-hydroxybutan-2-yl]ethanethioamide
CID 91448530
N-[(2S,3S)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[7-(5-methylthiophen-2-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butan-2-yl]acetamide
CID 68667783
N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[7-(5-methylthiophen-2-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butan-2-yl]acetamide
CID 11562135
N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[[(1S)-7-[(dimethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-3-hydroxybutan-2-yl]acetamide
CID 68536310

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-difluorophenyl)-4-[[7-ethyl-5-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-3-hydroxybutan-2-yl]acetamide?
The IUPAC name of N-[1-(3,5-difluorophenyl)-4-[[7-ethyl-5-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-3-hydroxybutan-2-yl]acetamide (CID 11677832) is N-[1-(3,5-difluorophenyl)-4-[[7-ethyl-5-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-3-hydroxybutan-2-yl]acetamide.
What is the SMILES notation for N-[1-(3,5-difluorophenyl)-4-[[7-ethyl-5-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-3-hydroxybutan-2-yl]acetamide?
The canonical SMILES for N-[1-(3,5-difluorophenyl)-4-[[7-ethyl-5-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-3-hydroxybutan-2-yl]acetamide is CCc1cc(-c2ccc(C)cn2)c2c(c1)C(NCC(O)C(Cc1cc(F)cc(F)c1)NC(C)=O)CCC2.
What is the InChIKey of N-[1-(3,5-difluorophenyl)-4-[[7-ethyl-5-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-3-hydroxybutan-2-yl]acetamide?
The InChIKey is HIVJOTFBVYOKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35F2N3O2/c1-4-20-12-25-24(26(13-20)28-9-8-18(2)16-33-28)6-5-7-27(25)34-17-30(37)29(35-19(3)36)14-21-10-22(31)15-23(32)11-21/h8-13,15-16,27,29-30,34,37H,4-7,14,17H2,1-3H3,(H,35,36).
What are the key properties of N-[1-(3,5-difluorophenyl)-4-[[7-ethyl-5-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-3-hydroxybutan-2-yl]acetamide?
N-[1-(3,5-difluorophenyl)-4-[[7-ethyl-5-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-3-hydroxybutan-2-yl]acetamide has a molecular weight of 507.63 g/mol, XLogP of 4.97, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-difluorophenyl)-4-[[7-ethyl-5-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-3-hydroxybutan-2-yl]acetamide is sourced from PubChem (CID 11677832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).