N-tert-butyl-2-[(2-chlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide

C27H31ClN2O2 — CID 132717149

IUPACN-tert-butyl-2-[(2-chlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide
SMILESCC(C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CCc1cccc2ccccc12
InChIInChI=1S/C27H31ClN2O2/c1-19(26(32)29-27(2,3)4)30(18-22-11-6-8-15-24(22)28)25(31)17-16-21-13-9-12-20-10-5-7-14-23(20)21/h5-15,19H,16-18H2,1-4H3,(H,29,32)
InChIKeyRIWMMAJHEJRRFJ-UHFFFAOYSA-N
MW451.01 g/mol
LogP5.76
Rot. Bonds7

About N-tert-butyl-2-[(2-chlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide

N-tert-butyl-2-[(2-chlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide (PubChem CID 132717149) has the molecular formula C27H31ClN2O2 and a molecular weight of 451.01 g/mol. Its IUPAC name is N-tert-butyl-2-[(2-chlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(2-chlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide
PubChem CID132717149
Molecular FormulaC27H31ClN2O2
Molecular Weight451.01 g/mol
Exact Mass450.21
IUPAC NameN-tert-butyl-2-[(2-chlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide
SMILESCC(C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CCc1cccc2ccccc12
InChIInChI=1S/C27H31ClN2O2/c1-19(26(32)29-27(2,3)4)30(18-22-11-6-8-15-24(22)28)25(31)17-16-21-13-9-12-20-10-5-7-14-23(20)21/h5-15,19H,16-18H2,1-4H3,(H,29,32)
InChIKeyRIWMMAJHEJRRFJ-UHFFFAOYSA-N
XLogP5.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.01
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-(2-methylpropyl)propanamide
CID 132717143
N-tert-butyl-2-[(2-chlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-3-phenylpropanamide
CID 133148049
(2S)-N-[(2R)-butan-2-yl]-2-[(2-chlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide
CID 100557658
N-tert-butyl-2-[(3-chlorophenyl)methyl-[3-(2-chlorophenyl)propanoyl]amino]propanamide
CID 133145508
N-tert-butyl-2-[3-(2-chlorophenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]propanamide
CID 132711801
2-[(2-chlorophenyl)methyl-[3-(2-chlorophenyl)propanoyl]amino]-N-ethylpropanamide
CID 132662949
(2S)-N-[(2R)-butan-2-yl]-2-[(2,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide
CID 100582982
N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide
CID 132620793
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-[(2-chlorophenyl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 132984599
(2R)-2-[(3,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propan-2-ylpropanamide
CID 100704329
N-tert-butyl-2-[(2,6-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]propanamide
CID 132720497
N-tert-butyl-2-[(2-chlorophenyl)methyl-[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]propanamide
CID 132724467

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(2-chlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide?
The IUPAC name of N-tert-butyl-2-[(2-chlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide (CID 132717149) is N-tert-butyl-2-[(2-chlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[(2-chlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide?
The canonical SMILES for N-tert-butyl-2-[(2-chlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide is CC(C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CCc1cccc2ccccc12.
What is the InChIKey of N-tert-butyl-2-[(2-chlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide?
The InChIKey is RIWMMAJHEJRRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31ClN2O2/c1-19(26(32)29-27(2,3)4)30(18-22-11-6-8-15-24(22)28)25(31)17-16-21-13-9-12-20-10-5-7-14-23(20)21/h5-15,19H,16-18H2,1-4H3,(H,29,32).
What are the key properties of N-tert-butyl-2-[(2-chlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide?
N-tert-butyl-2-[(2-chlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide has a molecular weight of 451.01 g/mol, XLogP of 5.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(2-chlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide is sourced from PubChem (CID 132717149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).