(2S)-2-amino-N-(2,2-diethoxyethyl)-N-(3,3-diphenylpropyl)-3-phenylpropanamide

C30H38N2O3 — CID 138469613

IUPAC(2S)-2-amino-N-(2,2-diethoxyethyl)-N-(3,3-diphenylpropyl)-3-phenylpropanamide
SMILESCCOC(CN(CCC(c1ccccc1)c1ccccc1)C(=O)[C@@H](N)Cc1ccccc1)OCC
InChIInChI=1S/C30H38N2O3/c1-3-34-29(35-4-2)23-32(30(33)28(31)22-24-14-8-5-9-15-24)21-20-27(25-16-10-6-11-17-25)26-18-12-7-13-19-26/h5-19,27-29H,3-4,20-23,31H2,1-2H3/t28-/m0/s1
InChIKeyGHQUNBVZTORYSW-NDEPHWFRSA-N
MW474.65 g/mol
LogP5.01
Rot. Bonds14

About (2S)-2-amino-N-(2,2-diethoxyethyl)-N-(3,3-diphenylpropyl)-3-phenylpropanamide

(2S)-2-amino-N-(2,2-diethoxyethyl)-N-(3,3-diphenylpropyl)-3-phenylpropanamide (PubChem CID 138469613) has the molecular formula C30H38N2O3 and a molecular weight of 474.65 g/mol. Its IUPAC name is (2S)-2-amino-N-(2,2-diethoxyethyl)-N-(3,3-diphenylpropyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2,2-diethoxyethyl)-N-(3,3-diphenylpropyl)-3-phenylpropanamide
PubChem CID138469613
Molecular FormulaC30H38N2O3
Molecular Weight474.65 g/mol
Exact Mass474.29
IUPAC Name(2S)-2-amino-N-(2,2-diethoxyethyl)-N-(3,3-diphenylpropyl)-3-phenylpropanamide
SMILESCCOC(CN(CCC(c1ccccc1)c1ccccc1)C(=O)[C@@H](N)Cc1ccccc1)OCC
InChIInChI=1S/C30H38N2O3/c1-3-34-29(35-4-2)23-32(30(33)28(31)22-24-14-8-5-9-15-24)21-20-27(25-16-10-6-11-17-25)26-18-12-7-13-19-26/h5-19,27-29H,3-4,20-23,31H2,1-2H3/t28-/m0/s1
InChIKeyGHQUNBVZTORYSW-NDEPHWFRSA-N
XLogP5.01
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.65
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-(2,2-diethoxyethyl)-N-(3-methylbutyl)-4-phenylbutanamide
CID 118589325
(2S)-2-amino-N-(2,2-diethoxyethyl)-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 163240345
(2R)-2-(aminomethyl)-N-(2,2-diethoxyethyl)-N-(3-methylbutyl)-3-phenylpropanamide
CID 169240661
2-amino-3-(4-chlorophenyl)-N-(2,2-diethoxyethyl)-N-ethylpropanamide
CID 67340778
(2R)-2-(aminomethyl)-N-butyl-N-(2,2-diethoxyethyl)-3-phenylpropanamide
CID 169240585
2-amino-3-phenyl-N,N-dipropylpropanamide;hydrochloride
CID 56831878
9H-fluoren-9-ylmethyl N-[2-[2,2-diethoxyethyl(3,3-diphenylpropyl)amino]-2-oxo-1-phenylethyl]carbamate
CID 138469469
(2S)-2-amino-N-ethyl-N-(2-methylpropyl)-3-phenylpropanamide
CID 55150348
2-amino-N-ethyl-N-(2-methylpropyl)-3-phenylpropanamide
CID 43273815
(2S)-2-amino-N-ethyl-3-phenyl-N-propylpropanamide;hydrochloride
CID 119280650
ethyl 2-[(2-amino-3-phenylpropanoyl)-benzylamino]acetate
CID 22721819
2-amino-N-methyl-3-phenyl-N-propylpropanamide
CID 43271352

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2,2-diethoxyethyl)-N-(3,3-diphenylpropyl)-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-(2,2-diethoxyethyl)-N-(3,3-diphenylpropyl)-3-phenylpropanamide (CID 138469613) is (2S)-2-amino-N-(2,2-diethoxyethyl)-N-(3,3-diphenylpropyl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-(2,2-diethoxyethyl)-N-(3,3-diphenylpropyl)-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-(2,2-diethoxyethyl)-N-(3,3-diphenylpropyl)-3-phenylpropanamide is CCOC(CN(CCC(c1ccccc1)c1ccccc1)C(=O)[C@@H](N)Cc1ccccc1)OCC.
What is the InChIKey of (2S)-2-amino-N-(2,2-diethoxyethyl)-N-(3,3-diphenylpropyl)-3-phenylpropanamide?
The InChIKey is GHQUNBVZTORYSW-NDEPHWFRSA-N. The full InChI is InChI=1S/C30H38N2O3/c1-3-34-29(35-4-2)23-32(30(33)28(31)22-24-14-8-5-9-15-24)21-20-27(25-16-10-6-11-17-25)26-18-12-7-13-19-26/h5-19,27-29H,3-4,20-23,31H2,1-2H3/t28-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2,2-diethoxyethyl)-N-(3,3-diphenylpropyl)-3-phenylpropanamide?
(2S)-2-amino-N-(2,2-diethoxyethyl)-N-(3,3-diphenylpropyl)-3-phenylpropanamide has a molecular weight of 474.65 g/mol, XLogP of 5.01, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2,2-diethoxyethyl)-N-(3,3-diphenylpropyl)-3-phenylpropanamide is sourced from PubChem (CID 138469613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).