(2R)-2-[[4-(aminomethyl)phenyl]methylamino]-N-methoxy-4-phenylbutanamide

C19H25N3O2 — CID 88984760

IUPAC(2R)-2-[[4-(aminomethyl)phenyl]methylamino]-N-methoxy-4-phenylbutanamide
SMILESCONC(=O)[C@@H](CCc1ccccc1)NCc1ccc(CN)cc1
InChIInChI=1S/C19H25N3O2/c1-24-22-19(23)18(12-11-15-5-3-2-4-6-15)21-14-17-9-7-16(13-20)8-10-17/h2-10,18,21H,11-14,20H2,1H3,(H,22,23)/t18-/m1/s1
InChIKeyNNQOSQQODNHMKG-GOSISDBHSA-N
MW327.43 g/mol
LogP1.91
Rot. Bonds9

About (2R)-2-[[4-(aminomethyl)phenyl]methylamino]-N-methoxy-4-phenylbutanamide

(2R)-2-[[4-(aminomethyl)phenyl]methylamino]-N-methoxy-4-phenylbutanamide (PubChem CID 88984760) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is (2R)-2-[[4-(aminomethyl)phenyl]methylamino]-N-methoxy-4-phenylbutanamide.

Molecular Properties

Compound Name(2R)-2-[[4-(aminomethyl)phenyl]methylamino]-N-methoxy-4-phenylbutanamide
PubChem CID88984760
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name(2R)-2-[[4-(aminomethyl)phenyl]methylamino]-N-methoxy-4-phenylbutanamide
SMILESCONC(=O)[C@@H](CCc1ccccc1)NCc1ccc(CN)cc1
InChIInChI=1S/C19H25N3O2/c1-24-22-19(23)18(12-11-15-5-3-2-4-6-15)21-14-17-9-7-16(13-20)8-10-17/h2-10,18,21H,11-14,20H2,1H3,(H,22,23)/t18-/m1/s1
InChIKeyNNQOSQQODNHMKG-GOSISDBHSA-N
XLogP1.91
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-2-(chloroamino)-4-phenylbutanoate
CID 121299211
methyl (2R)-2-(benzylamino)-3-sulfanylpropanoate
CID 21155893
(2S)-2-[(3-amino-2-methoxypropanoyl)amino]-4-phenylbutanoic acid
CID 106114004
methyl 4-phenyl-2-(thiophen-2-ylmethylamino)butanoate
CID 62881287
(2S)-2-[(4-methoxyphenyl)methylamino]-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 2444533
2-[(4-methoxyphenyl)methylamino]-N-(4-phenylbutan-2-yl)propanamide
CID 4878013
dimethyl 2-(benzylamino)propanedioate
CID 562185
4-[4-(aminomethyl)phenyl]-2-methylbutanamide
CID 175316753
ethyl (2S)-2-(benzylamino)-3-(2-phenylethylamino)propanoate
CID 10936300
methyl N-[(2R)-1-(methoxyamino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 10682227
diethyl (2S)-2-(benzylamino)butanedioate
CID 124630136
ethyl 4-phenyl-2-(propylamino)butanoate
CID 62880935

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-(aminomethyl)phenyl]methylamino]-N-methoxy-4-phenylbutanamide?
The IUPAC name of (2R)-2-[[4-(aminomethyl)phenyl]methylamino]-N-methoxy-4-phenylbutanamide (CID 88984760) is (2R)-2-[[4-(aminomethyl)phenyl]methylamino]-N-methoxy-4-phenylbutanamide.
What is the SMILES notation for (2R)-2-[[4-(aminomethyl)phenyl]methylamino]-N-methoxy-4-phenylbutanamide?
The canonical SMILES for (2R)-2-[[4-(aminomethyl)phenyl]methylamino]-N-methoxy-4-phenylbutanamide is CONC(=O)[C@@H](CCc1ccccc1)NCc1ccc(CN)cc1.
What is the InChIKey of (2R)-2-[[4-(aminomethyl)phenyl]methylamino]-N-methoxy-4-phenylbutanamide?
The InChIKey is NNQOSQQODNHMKG-GOSISDBHSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-24-22-19(23)18(12-11-15-5-3-2-4-6-15)21-14-17-9-7-16(13-20)8-10-17/h2-10,18,21H,11-14,20H2,1H3,(H,22,23)/t18-/m1/s1.
What are the key properties of (2R)-2-[[4-(aminomethyl)phenyl]methylamino]-N-methoxy-4-phenylbutanamide?
(2R)-2-[[4-(aminomethyl)phenyl]methylamino]-N-methoxy-4-phenylbutanamide has a molecular weight of 327.43 g/mol, XLogP of 1.91, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(aminomethyl)phenyl]methylamino]-N-methoxy-4-phenylbutanamide is sourced from PubChem (CID 88984760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).