3-amino-N-[3-oxo-3-(propan-2-ylamino)propyl]-3-phenylpropanamide

C15H23N3O2 — CID 115748650

IUPAC3-amino-N-[3-oxo-3-(propan-2-ylamino)propyl]-3-phenylpropanamide
SMILESCC(C)NC(=O)CCNC(=O)CC(N)c1ccccc1
InChIInChI=1S/C15H23N3O2/c1-11(2)18-14(19)8-9-17-15(20)10-13(16)12-6-4-3-5-7-12/h3-7,11,13H,8-10,16H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyUAYSPWYLMZJNPE-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.11
Rot. Bonds7

About 3-amino-N-[3-oxo-3-(propan-2-ylamino)propyl]-3-phenylpropanamide

3-amino-N-[3-oxo-3-(propan-2-ylamino)propyl]-3-phenylpropanamide (PubChem CID 115748650) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-amino-N-[3-oxo-3-(propan-2-ylamino)propyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[3-oxo-3-(propan-2-ylamino)propyl]-3-phenylpropanamide
PubChem CID115748650
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-amino-N-[3-oxo-3-(propan-2-ylamino)propyl]-3-phenylpropanamide
SMILESCC(C)NC(=O)CCNC(=O)CC(N)c1ccccc1
InChIInChI=1S/C15H23N3O2/c1-11(2)18-14(19)8-9-17-15(20)10-13(16)12-6-4-3-5-7-12/h3-7,11,13H,8-10,16H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyUAYSPWYLMZJNPE-UHFFFAOYSA-N
XLogP1.11
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 142195823
3-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-3-phenylpropanamide
CID 79401824
4-[(3-amino-3-phenylpropanoyl)amino]butanamide
CID 60865046
3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-phenylpropanamide
CID 24694165
5-[(3-amino-3-phenylpropanoyl)amino]-2-methylpentanoic acid
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3-amino-3-phenyl-N-(2-phenylpropyl)propanamide
CID 61253056
3-amino-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide
CID 63226653
3-[(2-anilinoacetyl)amino]-N-propan-2-ylpropanamide
CID 112701585
3-amino-N-(2-methylbutyl)-3-phenylpropanamide
CID 62693740
methyl 3-[(3-amino-3-phenylpropanoyl)amino]-2-methylpropanoate
CID 119951074
3-amino-N-[2-(ethylsulfonylamino)ethyl]-3-phenylpropanamide
CID 119949886
3-amino-N-(5,5-dimethylhexyl)-3-phenylpropanamide
CID 119951271

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-oxo-3-(propan-2-ylamino)propyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[3-oxo-3-(propan-2-ylamino)propyl]-3-phenylpropanamide (CID 115748650) is 3-amino-N-[3-oxo-3-(propan-2-ylamino)propyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[3-oxo-3-(propan-2-ylamino)propyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[3-oxo-3-(propan-2-ylamino)propyl]-3-phenylpropanamide is CC(C)NC(=O)CCNC(=O)CC(N)c1ccccc1.
What is the InChIKey of 3-amino-N-[3-oxo-3-(propan-2-ylamino)propyl]-3-phenylpropanamide?
The InChIKey is UAYSPWYLMZJNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11(2)18-14(19)8-9-17-15(20)10-13(16)12-6-4-3-5-7-12/h3-7,11,13H,8-10,16H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 3-amino-N-[3-oxo-3-(propan-2-ylamino)propyl]-3-phenylpropanamide?
3-amino-N-[3-oxo-3-(propan-2-ylamino)propyl]-3-phenylpropanamide has a molecular weight of 277.37 g/mol, XLogP of 1.11, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-oxo-3-(propan-2-ylamino)propyl]-3-phenylpropanamide is sourced from PubChem (CID 115748650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).