3-[benzyl(1-cyclopropylethyl)amino]-N-carbamoylpropanamide

C16H23N3O2 — CID 74655069

IUPAC3-[benzyl(1-cyclopropylethyl)amino]-N-carbamoylpropanamide
SMILESCC(C1CC1)N(CCC(=O)NC(N)=O)Cc1ccccc1
InChIInChI=1S/C16H23N3O2/c1-12(14-7-8-14)19(10-9-15(20)18-16(17)21)11-13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3,(H3,17,18,20,21)
InChIKeyLEJQBFGOQZPCOT-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.87
Rot. Bonds7

About 3-[benzyl(1-cyclopropylethyl)amino]-N-carbamoylpropanamide

3-[benzyl(1-cyclopropylethyl)amino]-N-carbamoylpropanamide (PubChem CID 74655069) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-[benzyl(1-cyclopropylethyl)amino]-N-carbamoylpropanamide.

Molecular Properties

Compound Name3-[benzyl(1-cyclopropylethyl)amino]-N-carbamoylpropanamide
PubChem CID74655069
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-[benzyl(1-cyclopropylethyl)amino]-N-carbamoylpropanamide
SMILESCC(C1CC1)N(CCC(=O)NC(N)=O)Cc1ccccc1
InChIInChI=1S/C16H23N3O2/c1-12(14-7-8-14)19(10-9-15(20)18-16(17)21)11-13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3,(H3,17,18,20,21)
InChIKeyLEJQBFGOQZPCOT-UHFFFAOYSA-N
XLogP1.87
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(1-cyclopropylethyl)amino]-N-carbamoylpropanamide?
The IUPAC name of 3-[benzyl(1-cyclopropylethyl)amino]-N-carbamoylpropanamide (CID 74655069) is 3-[benzyl(1-cyclopropylethyl)amino]-N-carbamoylpropanamide.
What is the SMILES notation for 3-[benzyl(1-cyclopropylethyl)amino]-N-carbamoylpropanamide?
The canonical SMILES for 3-[benzyl(1-cyclopropylethyl)amino]-N-carbamoylpropanamide is CC(C1CC1)N(CCC(=O)NC(N)=O)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(1-cyclopropylethyl)amino]-N-carbamoylpropanamide?
The InChIKey is LEJQBFGOQZPCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12(14-7-8-14)19(10-9-15(20)18-16(17)21)11-13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3,(H3,17,18,20,21).
What are the key properties of 3-[benzyl(1-cyclopropylethyl)amino]-N-carbamoylpropanamide?
3-[benzyl(1-cyclopropylethyl)amino]-N-carbamoylpropanamide has a molecular weight of 289.38 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(1-cyclopropylethyl)amino]-N-carbamoylpropanamide is sourced from PubChem (CID 74655069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).