3-amino-N-[3-oxo-3-(prop-1-ynylamino)propyl]-3-phenylpropanamide

C15H19N3O2 — CID 142195823

IUPAC3-amino-N-[3-oxo-3-(prop-1-ynylamino)propyl]-3-phenylpropanamide
SMILESCC#CNC(=O)CCNC(=O)CC(N)c1ccccc1
InChIInChI=1S/C15H19N3O2/c1-2-9-17-14(19)8-10-18-15(20)11-13(16)12-6-4-3-5-7-12/h3-7,13H,8,10-11,16H2,1H3,(H,17,19)(H,18,20)
InChIKeyNGYUAVYUXOEHDJ-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.68
Rot. Bonds6

About 3-amino-N-[3-oxo-3-(prop-1-ynylamino)propyl]-3-phenylpropanamide

3-amino-N-[3-oxo-3-(prop-1-ynylamino)propyl]-3-phenylpropanamide (PubChem CID 142195823) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-amino-N-[3-oxo-3-(prop-1-ynylamino)propyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[3-oxo-3-(prop-1-ynylamino)propyl]-3-phenylpropanamide
PubChem CID142195823
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-amino-N-[3-oxo-3-(prop-1-ynylamino)propyl]-3-phenylpropanamide
SMILESCC#CNC(=O)CCNC(=O)CC(N)c1ccccc1
InChIInChI=1S/C15H19N3O2/c1-2-9-17-14(19)8-10-18-15(20)11-13(16)12-6-4-3-5-7-12/h3-7,13H,8,10-11,16H2,1H3,(H,17,19)(H,18,20)
InChIKeyNGYUAVYUXOEHDJ-UHFFFAOYSA-N
XLogP0.68
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[3-oxo-3-(propan-2-ylamino)propyl]-3-phenylpropanamide
CID 115748650
3-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-3-phenylpropanamide
CID 79401824
4-[(3-amino-3-phenylpropanoyl)amino]butanamide
CID 60865046
3-amino-3-phenyl-N-(2-phenylpropyl)propanamide
CID 61253056
3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-phenylpropanamide
CID 24694165
5-[(3-amino-3-phenylpropanoyl)amino]-2-methylpentanoic acid
CID 115867289
3-amino-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide
CID 63226653
3-amino-N-(5,5-dimethylhexyl)-3-phenylpropanamide
CID 119951271
3-amino-N-[2-(ethylsulfonylamino)ethyl]-3-phenylpropanamide
CID 119949886
3-amino-N-(2-amino-2-methylpropyl)-3-phenylpropanamide
CID 122080831
3-amino-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide;hydrochloride
CID 119949448
3-amino-N-[4-(diethylamino)butyl]-3-phenylpropanamide
CID 119953159

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-oxo-3-(prop-1-ynylamino)propyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[3-oxo-3-(prop-1-ynylamino)propyl]-3-phenylpropanamide (CID 142195823) is 3-amino-N-[3-oxo-3-(prop-1-ynylamino)propyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[3-oxo-3-(prop-1-ynylamino)propyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[3-oxo-3-(prop-1-ynylamino)propyl]-3-phenylpropanamide is CC#CNC(=O)CCNC(=O)CC(N)c1ccccc1.
What is the InChIKey of 3-amino-N-[3-oxo-3-(prop-1-ynylamino)propyl]-3-phenylpropanamide?
The InChIKey is NGYUAVYUXOEHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-2-9-17-14(19)8-10-18-15(20)11-13(16)12-6-4-3-5-7-12/h3-7,13H,8,10-11,16H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 3-amino-N-[3-oxo-3-(prop-1-ynylamino)propyl]-3-phenylpropanamide?
3-amino-N-[3-oxo-3-(prop-1-ynylamino)propyl]-3-phenylpropanamide has a molecular weight of 273.34 g/mol, XLogP of 0.68, 6 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-(prop-1-ynylamino)propyl]-3-phenylpropanamide is sourced from PubChem (CID 142195823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).