(2R)-2-[(6-methoxynaphthalen-2-yl)methylcarbamoylamino]-N,N,4-trimethylpentanamide

C21H29N3O3 — CID 51957419

IUPAC(2R)-2-[(6-methoxynaphthalen-2-yl)methylcarbamoylamino]-N,N,4-trimethylpentanamide
SMILESCOc1ccc2cc(CNC(=O)N[C@H](CC(C)C)C(=O)N(C)C)ccc2c1
InChIInChI=1S/C21H29N3O3/c1-14(2)10-19(20(25)24(3)4)23-21(26)22-13-15-6-7-17-12-18(27-5)9-8-16(17)11-15/h6-9,11-12,14,19H,10,13H2,1-5H3,(H2,22,23,26)/t19-/m1/s1
InChIKeyKENBTJPTELNEBG-LJQANCHMSA-N
MW371.48 g/mol
LogP3.15
Rot. Bonds7

About (2R)-2-[(6-methoxynaphthalen-2-yl)methylcarbamoylamino]-N,N,4-trimethylpentanamide

(2R)-2-[(6-methoxynaphthalen-2-yl)methylcarbamoylamino]-N,N,4-trimethylpentanamide (PubChem CID 51957419) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is (2R)-2-[(6-methoxynaphthalen-2-yl)methylcarbamoylamino]-N,N,4-trimethylpentanamide.

Molecular Properties

Compound Name(2R)-2-[(6-methoxynaphthalen-2-yl)methylcarbamoylamino]-N,N,4-trimethylpentanamide
PubChem CID51957419
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name(2R)-2-[(6-methoxynaphthalen-2-yl)methylcarbamoylamino]-N,N,4-trimethylpentanamide
SMILESCOc1ccc2cc(CNC(=O)N[C@H](CC(C)C)C(=O)N(C)C)ccc2c1
InChIInChI=1S/C21H29N3O3/c1-14(2)10-19(20(25)24(3)4)23-21(26)22-13-15-6-7-17-12-18(27-5)9-8-16(17)11-15/h6-9,11-12,14,19H,10,13H2,1-5H3,(H2,22,23,26)/t19-/m1/s1
InChIKeyKENBTJPTELNEBG-LJQANCHMSA-N
XLogP3.15
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(6-methoxynaphthalen-2-yl)methyl]-3-propan-2-ylurea
CID 24612075
methyl (2R)-2-[(3-methoxyphenyl)methylcarbamoylamino]-4-methylpentanoate
CID 7640872
N-[(6-methoxynaphthalen-2-yl)methyl]-2-methylbutanamide
CID 24622689
1-[1-(4-fluorophenyl)ethyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 24612610
(6-methoxynaphthalen-2-yl)methylcarbamic acid
CID 115170918
1-[(4-chlorophenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 46699791
1-[(3,4-dimethoxyphenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 41182139
1-(2-hydroxyethyl)-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 110894111
1-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 41438087
(2R)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N,N-dimethylpropanamide
CID 8925163
(2S)-2-amino-N-[(6-methoxynaphthalen-2-yl)methyl]propanamide;hydrochloride
CID 119276428
2-[2-(4-methoxyphenyl)ethylcarbamoylamino]-4-methylpentanoic acid
CID 3724243

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(6-methoxynaphthalen-2-yl)methylcarbamoylamino]-N,N,4-trimethylpentanamide?
The IUPAC name of (2R)-2-[(6-methoxynaphthalen-2-yl)methylcarbamoylamino]-N,N,4-trimethylpentanamide (CID 51957419) is (2R)-2-[(6-methoxynaphthalen-2-yl)methylcarbamoylamino]-N,N,4-trimethylpentanamide.
What is the SMILES notation for (2R)-2-[(6-methoxynaphthalen-2-yl)methylcarbamoylamino]-N,N,4-trimethylpentanamide?
The canonical SMILES for (2R)-2-[(6-methoxynaphthalen-2-yl)methylcarbamoylamino]-N,N,4-trimethylpentanamide is COc1ccc2cc(CNC(=O)N[C@H](CC(C)C)C(=O)N(C)C)ccc2c1.
What is the InChIKey of (2R)-2-[(6-methoxynaphthalen-2-yl)methylcarbamoylamino]-N,N,4-trimethylpentanamide?
The InChIKey is KENBTJPTELNEBG-LJQANCHMSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-14(2)10-19(20(25)24(3)4)23-21(26)22-13-15-6-7-17-12-18(27-5)9-8-16(17)11-15/h6-9,11-12,14,19H,10,13H2,1-5H3,(H2,22,23,26)/t19-/m1/s1.
What are the key properties of (2R)-2-[(6-methoxynaphthalen-2-yl)methylcarbamoylamino]-N,N,4-trimethylpentanamide?
(2R)-2-[(6-methoxynaphthalen-2-yl)methylcarbamoylamino]-N,N,4-trimethylpentanamide has a molecular weight of 371.48 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(6-methoxynaphthalen-2-yl)methylcarbamoylamino]-N,N,4-trimethylpentanamide is sourced from PubChem (CID 51957419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).