2-[[(1S)-1-naphthalen-1-ylethyl]amino]-N-(3-phenylpropyl)acetamide

C23H26N2O — CID 9397422

IUPAC2-[[(1S)-1-naphthalen-1-ylethyl]amino]-N-(3-phenylpropyl)acetamide
SMILESC[C@H](NCC(=O)NCCCc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C23H26N2O/c1-18(21-15-7-13-20-12-5-6-14-22(20)21)25-17-23(26)24-16-8-11-19-9-3-2-4-10-19/h2-7,9-10,12-15,18,25H,8,11,16-17H2,1H3,(H,24,26)/t18-/m0/s1
InChIKeyFNFPVEIXGGALGB-SFHVURJKSA-N
MW346.47 g/mol
LogP4.24
Rot. Bonds8

About 2-[[(1S)-1-naphthalen-1-ylethyl]amino]-N-(3-phenylpropyl)acetamide

2-[[(1S)-1-naphthalen-1-ylethyl]amino]-N-(3-phenylpropyl)acetamide (PubChem CID 9397422) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-[[(1S)-1-naphthalen-1-ylethyl]amino]-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-naphthalen-1-ylethyl]amino]-N-(3-phenylpropyl)acetamide
PubChem CID9397422
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC Name2-[[(1S)-1-naphthalen-1-ylethyl]amino]-N-(3-phenylpropyl)acetamide
SMILESC[C@H](NCC(=O)NCCCc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C23H26N2O/c1-18(21-15-7-13-20-12-5-6-14-22(20)21)25-17-23(26)24-16-8-11-19-9-3-2-4-10-19/h2-7,9-10,12-15,18,25H,8,11,16-17H2,1H3,(H,24,26)/t18-/m0/s1
InChIKeyFNFPVEIXGGALGB-SFHVURJKSA-N
XLogP4.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-naphthalen-1-ylethyl)-3-phenylpropan-1-amine;hydrochloride
CID 175678820
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 8695568
N-[(3-chlorophenyl)methyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9397735
N-[(4-chlorophenyl)methyl]-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396902
N-tert-butyl-2-(1-naphthalen-1-ylethylamino)acetamide
CID 78913257
2-[[2-methyl-2-[4-[3-(1-naphthalen-1-ylethylamino)propyl]phenyl]propanoyl]amino]acetic acid
CID 67287623
N-[2-(2-methoxyphenoxy)ethyl]-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 8695450
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396732
2-naphthalen-1-yl-N-(3-phenylpropyl)acetamide
CID 4807047
N-benzyl-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 18086041
N-benzyl-2-[[(1S)-1-(2-bromophenyl)ethyl]amino]acetamide
CID 81378591
2-[[2-oxo-2-(3-phenylpropylamino)ethyl]amino]pentanoic acid
CID 43631427

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-naphthalen-1-ylethyl]amino]-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-[[(1S)-1-naphthalen-1-ylethyl]amino]-N-(3-phenylpropyl)acetamide (CID 9397422) is 2-[[(1S)-1-naphthalen-1-ylethyl]amino]-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-[[(1S)-1-naphthalen-1-ylethyl]amino]-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-[[(1S)-1-naphthalen-1-ylethyl]amino]-N-(3-phenylpropyl)acetamide is C[C@H](NCC(=O)NCCCc1ccccc1)c1cccc2ccccc12.
What is the InChIKey of 2-[[(1S)-1-naphthalen-1-ylethyl]amino]-N-(3-phenylpropyl)acetamide?
The InChIKey is FNFPVEIXGGALGB-SFHVURJKSA-N. The full InChI is InChI=1S/C23H26N2O/c1-18(21-15-7-13-20-12-5-6-14-22(20)21)25-17-23(26)24-16-8-11-19-9-3-2-4-10-19/h2-7,9-10,12-15,18,25H,8,11,16-17H2,1H3,(H,24,26)/t18-/m0/s1.
What are the key properties of 2-[[(1S)-1-naphthalen-1-ylethyl]amino]-N-(3-phenylpropyl)acetamide?
2-[[(1S)-1-naphthalen-1-ylethyl]amino]-N-(3-phenylpropyl)acetamide has a molecular weight of 346.47 g/mol, XLogP of 4.24, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-naphthalen-1-ylethyl]amino]-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 9397422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).