3-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-3-phenylpropanamide

C15H21N3O2 — CID 79401824

IUPAC3-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-3-phenylpropanamide
SMILESNC(CC(=O)NCCC(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C15H21N3O2/c16-13(11-4-2-1-3-5-11)10-15(20)17-9-8-14(19)18-12-6-7-12/h1-5,12-13H,6-10,16H2,(H,17,20)(H,18,19)
InChIKeyJQRDRIFCTBCFBX-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.86
Rot. Bonds7

About 3-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-3-phenylpropanamide

3-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-3-phenylpropanamide (PubChem CID 79401824) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-3-phenylpropanamide
PubChem CID79401824
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-3-phenylpropanamide
SMILESNC(CC(=O)NCCC(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C15H21N3O2/c16-13(11-4-2-1-3-5-11)10-15(20)17-9-8-14(19)18-12-6-7-12/h1-5,12-13H,6-10,16H2,(H,17,20)(H,18,19)
InChIKeyJQRDRIFCTBCFBX-UHFFFAOYSA-N
XLogP0.86
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-phenylbutanamide
CID 79377333
4-[(3-amino-3-phenylpropanoyl)amino]cyclohexane-1-carboxylic acid
CID 61160281
3-amino-3-phenyl-N-(4-phenylcyclohexyl)propanamide;hydrochloride
CID 119949671
3-amino-N-[3-oxo-3-(propan-2-ylamino)propyl]-3-phenylpropanamide
CID 115748650
4-[(3-amino-3-phenylpropanoyl)amino]butanamide
CID 60865046
3-amino-N-[3-oxo-3-(prop-1-ynylamino)propyl]-3-phenylpropanamide
CID 142195823
3-amino-N-(1-cyclopropylpiperidin-4-yl)-3-phenylpropanamide
CID 43711758
3-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-3-phenylpropanamide;hydrochloride
CID 119951028
3-amino-3-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 43711347
3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-phenylpropanamide;dihydrochloride
CID 119953402
3-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-phenylpropanamide;hydrochloride
CID 119949354
N-(4-hydroxycyclohexyl)-3-[(2-phenylacetyl)amino]propanamide
CID 110882867

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-3-phenylpropanamide (CID 79401824) is 3-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-3-phenylpropanamide is NC(CC(=O)NCCC(=O)NC1CC1)c1ccccc1.
What is the InChIKey of 3-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-3-phenylpropanamide?
The InChIKey is JQRDRIFCTBCFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c16-13(11-4-2-1-3-5-11)10-15(20)17-9-8-14(19)18-12-6-7-12/h1-5,12-13H,6-10,16H2,(H,17,20)(H,18,19).
What are the key properties of 3-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-3-phenylpropanamide?
3-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-3-phenylpropanamide has a molecular weight of 275.35 g/mol, XLogP of 0.86, 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-(cyclopropylamino)-3-oxopropyl]-3-phenylpropanamide is sourced from PubChem (CID 79401824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).