N-butan-2-yl-2-[(2-chlorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide

C27H31ClN2O3 — CID 132721563

IUPACN-butan-2-yl-2-[(2-chlorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide
SMILESCCC(C)NC(=O)C(CC)N(Cc1ccccc1Cl)C(=O)COc1cccc2ccccc12
InChIInChI=1S/C27H31ClN2O3/c1-4-19(3)29-27(32)24(5-2)30(17-21-12-7-9-15-23(21)28)26(31)18-33-25-16-10-13-20-11-6-8-14-22(20)25/h6-16,19,24H,4-5,17-18H2,1-3H3,(H,29,32)
InChIKeyKLBXHOQFAODSDB-UHFFFAOYSA-N
MW467.01 g/mol
LogP5.59
Rot. Bonds10

About N-butan-2-yl-2-[(2-chlorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide

N-butan-2-yl-2-[(2-chlorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide (PubChem CID 132721563) has the molecular formula C27H31ClN2O3 and a molecular weight of 467.01 g/mol. Its IUPAC name is N-butan-2-yl-2-[(2-chlorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[(2-chlorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide
PubChem CID132721563
Molecular FormulaC27H31ClN2O3
Molecular Weight467.01 g/mol
Exact Mass466.20
IUPAC NameN-butan-2-yl-2-[(2-chlorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide
SMILESCCC(C)NC(=O)C(CC)N(Cc1ccccc1Cl)C(=O)COc1cccc2ccccc12
InChIInChI=1S/C27H31ClN2O3/c1-4-19(3)29-27(32)24(5-2)30(17-21-12-7-9-15-23(21)28)26(31)18-33-25-16-10-13-20-11-6-8-14-22(20)25/h6-16,19,24H,4-5,17-18H2,1-3H3,(H,29,32)
InChIKeyKLBXHOQFAODSDB-UHFFFAOYSA-N
XLogP5.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.01
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(2S)-butan-2-yl]-2-[(2-chlorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]propanamide
CID 100555874
N-butan-2-yl-2-[(2-chlorophenyl)methyl-[2-(2,3-dimethylphenoxy)acetyl]amino]butanamide
CID 132715402
N-butan-2-yl-2-[(2-chlorophenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]butanamide
CID 132719319
N-butan-2-yl-2-[(4-methoxyphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide
CID 132720248
(2R)-N-[(2R)-butan-2-yl]-2-[(2,4-dichlorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]propanamide
CID 100581289
(2S)-N-[(2S)-butan-2-yl]-2-[[2-(4-chlorophenoxy)acetyl]-[(2-chlorophenyl)methyl]amino]butanamide
CID 100688005
(2S)-2-[[2-(4-bromo-2-chlorophenoxy)acetyl]-[(2-chlorophenyl)methyl]amino]-N-[(2R)-butan-2-yl]butanamide
CID 100695277
(2R)-N-[(2R)-butan-2-yl]-2-[(2-chlorophenyl)methyl-[2-(2,5-dimethylphenoxy)acetyl]amino]butanamide
CID 100695301
(2S)-N-[(2S)-butan-2-yl]-2-[(2-chlorophenyl)methyl-[2-(2,5-dimethylphenoxy)acetyl]amino]butanamide
CID 100695332
(2S)-N-[(2S)-butan-2-yl]-2-[[2-(3-chlorophenoxy)acetyl]-[(2-chlorophenyl)methyl]amino]butanamide
CID 100697483
2-[(2,4-dichlorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-(2-methylpropyl)butanamide
CID 132947361
(2R)-N-[(2R)-butan-2-yl]-2-[[2-(2-chlorophenyl)acetyl]-[(2-chlorophenyl)methyl]amino]butanamide
CID 100697908

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[(2-chlorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide?
The IUPAC name of N-butan-2-yl-2-[(2-chlorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide (CID 132721563) is N-butan-2-yl-2-[(2-chlorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide.
What is the SMILES notation for N-butan-2-yl-2-[(2-chlorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide?
The canonical SMILES for N-butan-2-yl-2-[(2-chlorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide is CCC(C)NC(=O)C(CC)N(Cc1ccccc1Cl)C(=O)COc1cccc2ccccc12.
What is the InChIKey of N-butan-2-yl-2-[(2-chlorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide?
The InChIKey is KLBXHOQFAODSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31ClN2O3/c1-4-19(3)29-27(32)24(5-2)30(17-21-12-7-9-15-23(21)28)26(31)18-33-25-16-10-13-20-11-6-8-14-22(20)25/h6-16,19,24H,4-5,17-18H2,1-3H3,(H,29,32).
What are the key properties of N-butan-2-yl-2-[(2-chlorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide?
N-butan-2-yl-2-[(2-chlorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide has a molecular weight of 467.01 g/mol, XLogP of 5.59, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[(2-chlorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide is sourced from PubChem (CID 132721563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).