(2S)-2-amino-N-(2,2-diethoxyethyl)-3-phenyl-N-(pyridin-4-ylmethyl)propanamide

C21H29N3O3 — CID 163240345

IUPAC(2S)-2-amino-N-(2,2-diethoxyethyl)-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
SMILESCCOC(CN(Cc1ccncc1)C(=O)[C@@H](N)Cc1ccccc1)OCC
InChIInChI=1S/C21H29N3O3/c1-3-26-20(27-4-2)16-24(15-18-10-12-23-13-11-18)21(25)19(22)14-17-8-6-5-7-9-17/h5-13,19-20H,3-4,14-16,22H2,1-2H3/t19-/m0/s1
InChIKeyAZSVFTKHOLLGHB-IBGZPJMESA-N
MW371.48 g/mol
LogP2.38
Rot. Bonds11

About (2S)-2-amino-N-(2,2-diethoxyethyl)-3-phenyl-N-(pyridin-4-ylmethyl)propanamide

(2S)-2-amino-N-(2,2-diethoxyethyl)-3-phenyl-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 163240345) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is (2S)-2-amino-N-(2,2-diethoxyethyl)-3-phenyl-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2,2-diethoxyethyl)-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
PubChem CID163240345
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name(2S)-2-amino-N-(2,2-diethoxyethyl)-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
SMILESCCOC(CN(Cc1ccncc1)C(=O)[C@@H](N)Cc1ccccc1)OCC
InChIInChI=1S/C21H29N3O3/c1-3-26-20(27-4-2)16-24(15-18-10-12-23-13-11-18)21(25)19(22)14-17-8-6-5-7-9-17/h5-13,19-20H,3-4,14-16,22H2,1-2H3/t19-/m0/s1
InChIKeyAZSVFTKHOLLGHB-IBGZPJMESA-N
XLogP2.38
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2S)-2-amino-N-(2,2-diethoxyethyl)-3-phenyl-N-(pyridin-4-ylmethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-N-(2,2-diethoxyethyl)-N-(pyridin-4-ylmethyl)propanamide
CID 163240446
(2S)-2-amino-N-(2,2-diethoxyethyl)-N-(3,3-diphenylpropyl)-3-phenylpropanamide
CID 138469613
ethyl 2-[(2-amino-3-phenylpropanoyl)-benzylamino]acetate
CID 22721819
2-amino-3-(4-chlorophenyl)-N-(2,2-diethoxyethyl)-N-ethylpropanamide
CID 67340778
4-[benzyl(2,2-diethoxyethyl)amino]-4-oxobutanoic acid
CID 67447375
(2S)-2-amino-N-(2,2-diethoxyethyl)-N-(3-methylbutyl)-4-phenylbutanamide
CID 118589325
(2S)-2-amino-N,N-dimethyl-3-pyridin-4-ylpropanamide
CID 67430342
2-amino-N-ethyl-N-(2-methylpropyl)-3-phenylpropanamide
CID 43273815
(2S)-2-amino-N-ethyl-N-(2-methylpropyl)-3-phenylpropanamide
CID 55150348
2-amino-3-phenyl-N,N-dipropylpropanamide;hydrochloride
CID 56831878
2-amino-N-ethyl-N-(pyridin-4-ylmethyl)pentanamide
CID 54873793
2-amino-N-ethyl-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride
CID 119885181

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2,2-diethoxyethyl)-3-phenyl-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of (2S)-2-amino-N-(2,2-diethoxyethyl)-3-phenyl-N-(pyridin-4-ylmethyl)propanamide (CID 163240345) is (2S)-2-amino-N-(2,2-diethoxyethyl)-3-phenyl-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(2,2-diethoxyethyl)-3-phenyl-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(2,2-diethoxyethyl)-3-phenyl-N-(pyridin-4-ylmethyl)propanamide is CCOC(CN(Cc1ccncc1)C(=O)[C@@H](N)Cc1ccccc1)OCC.
What is the InChIKey of (2S)-2-amino-N-(2,2-diethoxyethyl)-3-phenyl-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is AZSVFTKHOLLGHB-IBGZPJMESA-N. The full InChI is InChI=1S/C21H29N3O3/c1-3-26-20(27-4-2)16-24(15-18-10-12-23-13-11-18)21(25)19(22)14-17-8-6-5-7-9-17/h5-13,19-20H,3-4,14-16,22H2,1-2H3/t19-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2,2-diethoxyethyl)-3-phenyl-N-(pyridin-4-ylmethyl)propanamide?
(2S)-2-amino-N-(2,2-diethoxyethyl)-3-phenyl-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 371.48 g/mol, XLogP of 2.38, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2,2-diethoxyethyl)-3-phenyl-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 163240345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).