2-amino-N-[(1S)-1-(4-phenylmethoxyphenyl)propyl]butanamide

C20H26N2O2 — CID 140974460

IUPAC2-amino-N-[(1S)-1-(4-phenylmethoxyphenyl)propyl]butanamide
SMILESCCC(N)C(=O)N[C@@H](CC)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H26N2O2/c1-3-18(21)20(23)22-19(4-2)16-10-12-17(13-11-16)24-14-15-8-6-5-7-9-15/h5-13,18-19H,3-4,14,21H2,1-2H3,(H,22,23)/t18?,19-/m0/s1
InChIKeyJINDOJZJDFUPMJ-GGYWPGCISA-N
MW326.44 g/mol
LogP3.57
Rot. Bonds8

About 2-amino-N-[(1S)-1-(4-phenylmethoxyphenyl)propyl]butanamide

2-amino-N-[(1S)-1-(4-phenylmethoxyphenyl)propyl]butanamide (PubChem CID 140974460) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-amino-N-[(1S)-1-(4-phenylmethoxyphenyl)propyl]butanamide.

Molecular Properties

Compound Name2-amino-N-[(1S)-1-(4-phenylmethoxyphenyl)propyl]butanamide
PubChem CID140974460
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name2-amino-N-[(1S)-1-(4-phenylmethoxyphenyl)propyl]butanamide
SMILESCCC(N)C(=O)N[C@@H](CC)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H26N2O2/c1-3-18(21)20(23)22-19(4-2)16-10-12-17(13-11-16)24-14-15-8-6-5-7-9-15/h5-13,18-19H,3-4,14,21H2,1-2H3,(H,22,23)/t18?,19-/m0/s1
InChIKeyJINDOJZJDFUPMJ-GGYWPGCISA-N
XLogP3.57
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-3-phenyl-N-(1-phenylpropyl)propanamide
CID 78988694
1-(4-phenylmethoxyphenyl)propan-1-amine
CID 16795854
2-amino-N-[1-(4-methoxyphenyl)propyl]pentanamide;hydrochloride
CID 119271194
methyl 2-(phenylmethoxycarbonylamino)-2-(4-phenylmethoxyphenyl)acetate
CID 90753894
benzyl N-[(2S)-1-[[(1S)-1-(4-bromophenyl)propyl]amino]-1-oxopropan-2-yl]carbamate
CID 39958923
N-[(1S)-1-(4-methoxyphenyl)propyl]-3-phenylmethoxybenzamide
CID 38005412
2-amino-N-[2-(dimethylamino)-1-phenylethyl]butanamide
CID 61248731
3-phenylmethoxy-N-[(1S)-1-phenylpropyl]benzamide
CID 93234582
benzyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propanoate
CID 23572757
2-amino-N-(4-phenylmethoxyphenyl)pentanamide;hydrochloride
CID 119261538
N'-(2-amino-1-hydroxypropyl)-2-(4-phenylmethoxyphenyl)propanediamide
CID 70069895
N-[(1R)-1-(4-methoxyphenyl)propyl]-2-phenylacetamide
CID 28632525

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S)-1-(4-phenylmethoxyphenyl)propyl]butanamide?
The IUPAC name of 2-amino-N-[(1S)-1-(4-phenylmethoxyphenyl)propyl]butanamide (CID 140974460) is 2-amino-N-[(1S)-1-(4-phenylmethoxyphenyl)propyl]butanamide.
What is the SMILES notation for 2-amino-N-[(1S)-1-(4-phenylmethoxyphenyl)propyl]butanamide?
The canonical SMILES for 2-amino-N-[(1S)-1-(4-phenylmethoxyphenyl)propyl]butanamide is CCC(N)C(=O)N[C@@H](CC)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-amino-N-[(1S)-1-(4-phenylmethoxyphenyl)propyl]butanamide?
The InChIKey is JINDOJZJDFUPMJ-GGYWPGCISA-N. The full InChI is InChI=1S/C20H26N2O2/c1-3-18(21)20(23)22-19(4-2)16-10-12-17(13-11-16)24-14-15-8-6-5-7-9-15/h5-13,18-19H,3-4,14,21H2,1-2H3,(H,22,23)/t18?,19-/m0/s1.
What are the key properties of 2-amino-N-[(1S)-1-(4-phenylmethoxyphenyl)propyl]butanamide?
2-amino-N-[(1S)-1-(4-phenylmethoxyphenyl)propyl]butanamide has a molecular weight of 326.44 g/mol, XLogP of 3.57, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1S)-1-(4-phenylmethoxyphenyl)propyl]butanamide is sourced from PubChem (CID 140974460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).