(2R)-2-amino-N-[3-oxo-3-(propylamino)propyl]-3-phenylpropanamide

C15H23N3O2 — CID 78985493

IUPAC(2R)-2-amino-N-[3-oxo-3-(propylamino)propyl]-3-phenylpropanamide
SMILESCCCNC(=O)CCNC(=O)[C@H](N)Cc1ccccc1
InChIInChI=1S/C15H23N3O2/c1-2-9-17-14(19)8-10-18-15(20)13(16)11-12-6-4-3-5-7-12/h3-7,13H,2,8-11,16H2,1H3,(H,17,19)(H,18,20)/t13-/m1/s1
InChIKeyONPBDVVKNPJLEA-CYBMUJFWSA-N
MW277.37 g/mol
LogP0.59
Rot. Bonds8

About (2R)-2-amino-N-[3-oxo-3-(propylamino)propyl]-3-phenylpropanamide

(2R)-2-amino-N-[3-oxo-3-(propylamino)propyl]-3-phenylpropanamide (PubChem CID 78985493) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is (2R)-2-amino-N-[3-oxo-3-(propylamino)propyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[3-oxo-3-(propylamino)propyl]-3-phenylpropanamide
PubChem CID78985493
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name(2R)-2-amino-N-[3-oxo-3-(propylamino)propyl]-3-phenylpropanamide
SMILESCCCNC(=O)CCNC(=O)[C@H](N)Cc1ccccc1
InChIInChI=1S/C15H23N3O2/c1-2-9-17-14(19)8-10-18-15(20)13(16)11-12-6-4-3-5-7-12/h3-7,13H,2,8-11,16H2,1H3,(H,17,19)(H,18,20)/t13-/m1/s1
InChIKeyONPBDVVKNPJLEA-CYBMUJFWSA-N
XLogP0.59
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-phenylpropanamide
CID 103795836
2-amino-N-[3-(methylamino)-3-oxopropyl]-3-phenylpropanamide;hydrochloride
CID 119293831
(2S)-2-amino-N-[1-oxo-1-(propylamino)propan-2-yl]-3-phenylpropanamide
CID 61180741
2-amino-N-decyl-3-phenylpropanamide
CID 122423651
ethyl 3-[(2-amino-3-phenylpropanoyl)amino]propanoate;hydrochloride
CID 119281055
2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094
3-(1-phenylpropan-2-ylamino)-N-propylpropanamide
CID 55148984
(2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 21308260
benzyl 3-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoate;hydrochloride
CID 69462227
(2S)-2-amino-N-(3-methylbutyl)-3-phenylpropanamide
CID 10399143
(2S)-2-amino-N-[2-[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethyldisulfanyl]ethyl]-3-phenylpropanamide
CID 10388888
2-amino-N-(3-hydroxypropyl)-3-phenylpropanamide
CID 14308256

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[3-oxo-3-(propylamino)propyl]-3-phenylpropanamide?
The IUPAC name of (2R)-2-amino-N-[3-oxo-3-(propylamino)propyl]-3-phenylpropanamide (CID 78985493) is (2R)-2-amino-N-[3-oxo-3-(propylamino)propyl]-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-amino-N-[3-oxo-3-(propylamino)propyl]-3-phenylpropanamide?
The canonical SMILES for (2R)-2-amino-N-[3-oxo-3-(propylamino)propyl]-3-phenylpropanamide is CCCNC(=O)CCNC(=O)[C@H](N)Cc1ccccc1.
What is the InChIKey of (2R)-2-amino-N-[3-oxo-3-(propylamino)propyl]-3-phenylpropanamide?
The InChIKey is ONPBDVVKNPJLEA-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-2-9-17-14(19)8-10-18-15(20)13(16)11-12-6-4-3-5-7-12/h3-7,13H,2,8-11,16H2,1H3,(H,17,19)(H,18,20)/t13-/m1/s1.
What are the key properties of (2R)-2-amino-N-[3-oxo-3-(propylamino)propyl]-3-phenylpropanamide?
(2R)-2-amino-N-[3-oxo-3-(propylamino)propyl]-3-phenylpropanamide has a molecular weight of 277.37 g/mol, XLogP of 0.59, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[3-oxo-3-(propylamino)propyl]-3-phenylpropanamide is sourced from PubChem (CID 78985493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).