N-[1-(3,5-difluorophenyl)-4-[(6-ethyl-1,2,3,4-tetrahydroquinolin-4-yl)amino]-3-hydroxybutan-2-yl]acetamide

C23H29F2N3O2 — CID 11524541

IUPACN-[1-(3,5-difluorophenyl)-4-[(6-ethyl-1,2,3,4-tetrahydroquinolin-4-yl)amino]-3-hydroxybutan-2-yl]acetamide
SMILESCCc1ccc2c(c1)C(NCC(O)C(Cc1cc(F)cc(F)c1)NC(C)=O)CCN2
InChIInChI=1S/C23H29F2N3O2/c1-3-15-4-5-20-19(10-15)21(6-7-26-20)27-13-23(30)22(28-14(2)29)11-16-8-17(24)12-18(25)9-16/h4-5,8-10,12,21-23,26-27,30H,3,6-7,11,13H2,1-2H3,(H,28,29)
InChIKeyVGCQJVZQHQGRMF-UHFFFAOYSA-N
MW417.50 g/mol
LogP3.08
Rot. Bonds8

About N-[1-(3,5-difluorophenyl)-4-[(6-ethyl-1,2,3,4-tetrahydroquinolin-4-yl)amino]-3-hydroxybutan-2-yl]acetamide

N-[1-(3,5-difluorophenyl)-4-[(6-ethyl-1,2,3,4-tetrahydroquinolin-4-yl)amino]-3-hydroxybutan-2-yl]acetamide (PubChem CID 11524541) has the molecular formula C23H29F2N3O2 and a molecular weight of 417.50 g/mol. Its IUPAC name is N-[1-(3,5-difluorophenyl)-4-[(6-ethyl-1,2,3,4-tetrahydroquinolin-4-yl)amino]-3-hydroxybutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-(3,5-difluorophenyl)-4-[(6-ethyl-1,2,3,4-tetrahydroquinolin-4-yl)amino]-3-hydroxybutan-2-yl]acetamide
PubChem CID11524541
Molecular FormulaC23H29F2N3O2
Molecular Weight417.50 g/mol
Exact Mass417.22
IUPAC NameN-[1-(3,5-difluorophenyl)-4-[(6-ethyl-1,2,3,4-tetrahydroquinolin-4-yl)amino]-3-hydroxybutan-2-yl]acetamide
SMILESCCc1ccc2c(c1)C(NCC(O)C(Cc1cc(F)cc(F)c1)NC(C)=O)CCN2
InChIInChI=1S/C23H29F2N3O2/c1-3-15-4-5-20-19(10-15)21(6-7-26-20)27-13-23(30)22(28-14(2)29)11-16-8-17(24)12-18(25)9-16/h4-5,8-10,12,21-23,26-27,30H,3,6-7,11,13H2,1-2H3,(H,28,29)
InChIKeyVGCQJVZQHQGRMF-UHFFFAOYSA-N
XLogP3.08
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.50
LogP ≤ 53.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-difluorophenyl)-4-[(6-ethyl-1,2,3,4-tetrahydroquinolin-4-yl)amino]-3-hydroxybutan-2-yl]acetamide?
The IUPAC name of N-[1-(3,5-difluorophenyl)-4-[(6-ethyl-1,2,3,4-tetrahydroquinolin-4-yl)amino]-3-hydroxybutan-2-yl]acetamide (CID 11524541) is N-[1-(3,5-difluorophenyl)-4-[(6-ethyl-1,2,3,4-tetrahydroquinolin-4-yl)amino]-3-hydroxybutan-2-yl]acetamide.
What is the SMILES notation for N-[1-(3,5-difluorophenyl)-4-[(6-ethyl-1,2,3,4-tetrahydroquinolin-4-yl)amino]-3-hydroxybutan-2-yl]acetamide?
The canonical SMILES for N-[1-(3,5-difluorophenyl)-4-[(6-ethyl-1,2,3,4-tetrahydroquinolin-4-yl)amino]-3-hydroxybutan-2-yl]acetamide is CCc1ccc2c(c1)C(NCC(O)C(Cc1cc(F)cc(F)c1)NC(C)=O)CCN2.
What is the InChIKey of N-[1-(3,5-difluorophenyl)-4-[(6-ethyl-1,2,3,4-tetrahydroquinolin-4-yl)amino]-3-hydroxybutan-2-yl]acetamide?
The InChIKey is VGCQJVZQHQGRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F2N3O2/c1-3-15-4-5-20-19(10-15)21(6-7-26-20)27-13-23(30)22(28-14(2)29)11-16-8-17(24)12-18(25)9-16/h4-5,8-10,12,21-23,26-27,30H,3,6-7,11,13H2,1-2H3,(H,28,29).
What are the key properties of N-[1-(3,5-difluorophenyl)-4-[(6-ethyl-1,2,3,4-tetrahydroquinolin-4-yl)amino]-3-hydroxybutan-2-yl]acetamide?
N-[1-(3,5-difluorophenyl)-4-[(6-ethyl-1,2,3,4-tetrahydroquinolin-4-yl)amino]-3-hydroxybutan-2-yl]acetamide has a molecular weight of 417.50 g/mol, XLogP of 3.08, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-difluorophenyl)-4-[(6-ethyl-1,2,3,4-tetrahydroquinolin-4-yl)amino]-3-hydroxybutan-2-yl]acetamide is sourced from PubChem (CID 11524541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).