2-amino-N-[(2R)-2-amino-3-phenylpropyl]-3-propylbenzamide

C19H25N3O — CID 42645282

IUPAC2-amino-N-[(2R)-2-amino-3-phenylpropyl]-3-propylbenzamide
SMILESCCCc1cccc(C(=O)NC[C@H](N)Cc2ccccc2)c1N
InChIInChI=1S/C19H25N3O/c1-2-7-15-10-6-11-17(18(15)21)19(23)22-13-16(20)12-14-8-4-3-5-9-14/h3-6,8-11,16H,2,7,12-13,20-21H2,1H3,(H,22,23)/t16-/m1/s1
InChIKeyOXMWYBGRAJUOKC-MRXNPFEDSA-N
MW311.43 g/mol
LogP2.52
Rot. Bonds7

About 2-amino-N-[(2R)-2-amino-3-phenylpropyl]-3-propylbenzamide

2-amino-N-[(2R)-2-amino-3-phenylpropyl]-3-propylbenzamide (PubChem CID 42645282) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-amino-N-[(2R)-2-amino-3-phenylpropyl]-3-propylbenzamide.

Molecular Properties

Compound Name2-amino-N-[(2R)-2-amino-3-phenylpropyl]-3-propylbenzamide
PubChem CID42645282
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name2-amino-N-[(2R)-2-amino-3-phenylpropyl]-3-propylbenzamide
SMILESCCCc1cccc(C(=O)NC[C@H](N)Cc2ccccc2)c1N
InChIInChI=1S/C19H25N3O/c1-2-7-15-10-6-11-17(18(15)21)19(23)22-13-16(20)12-14-8-4-3-5-9-14/h3-6,8-11,16H,2,7,12-13,20-21H2,1H3,(H,22,23)/t16-/m1/s1
InChIKeyOXMWYBGRAJUOKC-MRXNPFEDSA-N
XLogP2.52
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-2-amino-3-phenylpropyl]-2-phenylacetamide
CID 42645987
(2-amino-3-phenylpropyl)urea
CID 137464572
methyl 4-[[(2R)-2-amino-3-phenylpropyl]carbamoyl]benzoate
CID 141178537
2-amino-N-[2-(diethylamino)-3-phenylpropyl]benzamide
CID 119946555
2-methylpropyl N-(2-amino-3-phenylpropyl)carbamate
CID 90766727
2-[(2R)-2-amino-3-hydroxypropyl]-N-butylbenzamide
CID 18660323
2-propylbenzohydrazide
CID 140653675
2-benzyl-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120650587
ethyl 2-amino-3-propylbenzoate
CID 60835647
2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094
(2S)-2-amino-N-[(2R)-2-amino-3-phenylpropyl]pentanediamide
CID 44588252
methyl 2-[(2-amino-3-phenylpropoxy)methyl]benzoate
CID 138110870

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2R)-2-amino-3-phenylpropyl]-3-propylbenzamide?
The IUPAC name of 2-amino-N-[(2R)-2-amino-3-phenylpropyl]-3-propylbenzamide (CID 42645282) is 2-amino-N-[(2R)-2-amino-3-phenylpropyl]-3-propylbenzamide.
What is the SMILES notation for 2-amino-N-[(2R)-2-amino-3-phenylpropyl]-3-propylbenzamide?
The canonical SMILES for 2-amino-N-[(2R)-2-amino-3-phenylpropyl]-3-propylbenzamide is CCCc1cccc(C(=O)NC[C@H](N)Cc2ccccc2)c1N.
What is the InChIKey of 2-amino-N-[(2R)-2-amino-3-phenylpropyl]-3-propylbenzamide?
The InChIKey is OXMWYBGRAJUOKC-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H25N3O/c1-2-7-15-10-6-11-17(18(15)21)19(23)22-13-16(20)12-14-8-4-3-5-9-14/h3-6,8-11,16H,2,7,12-13,20-21H2,1H3,(H,22,23)/t16-/m1/s1.
What are the key properties of 2-amino-N-[(2R)-2-amino-3-phenylpropyl]-3-propylbenzamide?
2-amino-N-[(2R)-2-amino-3-phenylpropyl]-3-propylbenzamide has a molecular weight of 311.43 g/mol, XLogP of 2.52, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2R)-2-amino-3-phenylpropyl]-3-propylbenzamide is sourced from PubChem (CID 42645282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).