(2R)-2-(aminomethyl)-N-butyl-N-(2,2-diethoxyethyl)-3-phenylpropanamide

C20H34N2O3 — CID 169240585

IUPAC(2R)-2-(aminomethyl)-N-butyl-N-(2,2-diethoxyethyl)-3-phenylpropanamide
SMILESCCCCN(CC(OCC)OCC)C(=O)[C@@H](CN)Cc1ccccc1
InChIInChI=1S/C20H34N2O3/c1-4-7-13-22(16-19(24-5-2)25-6-3)20(23)18(15-21)14-17-11-9-8-10-12-17/h8-12,18-19H,4-7,13-16,21H2,1-3H3/t18-/m1/s1
InChIKeyHSCADVLCDWHZJM-GOSISDBHSA-N
MW350.50 g/mol
LogP2.83
Rot. Bonds13

About (2R)-2-(aminomethyl)-N-butyl-N-(2,2-diethoxyethyl)-3-phenylpropanamide

(2R)-2-(aminomethyl)-N-butyl-N-(2,2-diethoxyethyl)-3-phenylpropanamide (PubChem CID 169240585) has the molecular formula C20H34N2O3 and a molecular weight of 350.50 g/mol. Its IUPAC name is (2R)-2-(aminomethyl)-N-butyl-N-(2,2-diethoxyethyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-(aminomethyl)-N-butyl-N-(2,2-diethoxyethyl)-3-phenylpropanamide
PubChem CID169240585
Molecular FormulaC20H34N2O3
Molecular Weight350.50 g/mol
Exact Mass350.26
IUPAC Name(2R)-2-(aminomethyl)-N-butyl-N-(2,2-diethoxyethyl)-3-phenylpropanamide
SMILESCCCCN(CC(OCC)OCC)C(=O)[C@@H](CN)Cc1ccccc1
InChIInChI=1S/C20H34N2O3/c1-4-7-13-22(16-19(24-5-2)25-6-3)20(23)18(15-21)14-17-11-9-8-10-12-17/h8-12,18-19H,4-7,13-16,21H2,1-3H3/t18-/m1/s1
InChIKeyHSCADVLCDWHZJM-GOSISDBHSA-N
XLogP2.83
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.50
LogP ≤ 52.83
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

(2R)-2-(aminomethyl)-N-(2,2-diethoxyethyl)-N-(3-methylbutyl)-3-phenylpropanamide
CID 169240661
(2S)-2-amino-N-(2,2-diethoxyethyl)-N-(3,3-diphenylpropyl)-3-phenylpropanamide
CID 138469613
ethyl (2R)-2-benzyl-3-(dipentylamino)-3-oxopropanoate
CID 7438124
(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
4-[benzyl(2,2-diethoxyethyl)amino]-4-oxobutanoic acid
CID 67447375
3-amino-N-butyl-N-(2-hydroxyethyl)-2-phenylpropanamide
CID 62878005
2-(aminomethyl)-3-phenyl-N-(3-propoxypropyl)propanamide
CID 82940849
N-(2-aminoethyl)-N-butyl-4-phenylbutanamide
CID 63754072
2-(aminomethyl)-N-benzyl-4,4-dimethyl-N-propylpentanamide
CID 107471232
(3R)-3-benzyl-4-ethoxy-4-oxobutanoic acid
CID 15021598
diethyl (2S)-2-benzylbutanedioate
CID 24748926

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(aminomethyl)-N-butyl-N-(2,2-diethoxyethyl)-3-phenylpropanamide?
The IUPAC name of (2R)-2-(aminomethyl)-N-butyl-N-(2,2-diethoxyethyl)-3-phenylpropanamide (CID 169240585) is (2R)-2-(aminomethyl)-N-butyl-N-(2,2-diethoxyethyl)-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-(aminomethyl)-N-butyl-N-(2,2-diethoxyethyl)-3-phenylpropanamide?
The canonical SMILES for (2R)-2-(aminomethyl)-N-butyl-N-(2,2-diethoxyethyl)-3-phenylpropanamide is CCCCN(CC(OCC)OCC)C(=O)[C@@H](CN)Cc1ccccc1.
What is the InChIKey of (2R)-2-(aminomethyl)-N-butyl-N-(2,2-diethoxyethyl)-3-phenylpropanamide?
The InChIKey is HSCADVLCDWHZJM-GOSISDBHSA-N. The full InChI is InChI=1S/C20H34N2O3/c1-4-7-13-22(16-19(24-5-2)25-6-3)20(23)18(15-21)14-17-11-9-8-10-12-17/h8-12,18-19H,4-7,13-16,21H2,1-3H3/t18-/m1/s1.
What are the key properties of (2R)-2-(aminomethyl)-N-butyl-N-(2,2-diethoxyethyl)-3-phenylpropanamide?
(2R)-2-(aminomethyl)-N-butyl-N-(2,2-diethoxyethyl)-3-phenylpropanamide has a molecular weight of 350.50 g/mol, XLogP of 2.83, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(aminomethyl)-N-butyl-N-(2,2-diethoxyethyl)-3-phenylpropanamide is sourced from PubChem (CID 169240585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).