3-amino-N-[(1-phenylcyclopropyl)methyl]propanamide

C13H18N2O — CID 110460210

IUPAC3-amino-N-[(1-phenylcyclopropyl)methyl]propanamide
SMILESNCCC(=O)NCC1(c2ccccc2)CC1
InChIInChI=1S/C13H18N2O/c14-9-6-12(16)15-10-13(7-8-13)11-4-2-1-3-5-11/h1-5H,6-10,14H2,(H,15,16)
InChIKeyKTQUSXNZPOMSDX-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.18
Rot. Bonds5

About 3-amino-N-[(1-phenylcyclopropyl)methyl]propanamide

3-amino-N-[(1-phenylcyclopropyl)methyl]propanamide (PubChem CID 110460210) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-amino-N-[(1-phenylcyclopropyl)methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[(1-phenylcyclopropyl)methyl]propanamide
PubChem CID110460210
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3-amino-N-[(1-phenylcyclopropyl)methyl]propanamide
SMILESNCCC(=O)NCC1(c2ccccc2)CC1
InChIInChI=1S/C13H18N2O/c14-9-6-12(16)15-10-13(7-8-13)11-4-2-1-3-5-11/h1-5H,6-10,14H2,(H,15,16)
InChIKeyKTQUSXNZPOMSDX-UHFFFAOYSA-N
XLogP1.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(1-phenylcyclobutyl)methyl]propanamide
CID 110460227
2-amino-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 110459326
3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
CID 110478929
3-oxo-N-[(1-phenylcyclopropyl)methyl]butanamide
CID 110470652
3-amino-N-[[(1S,4R,5R)-4-hydroxy-5-morpholin-4-yl-1-phenylcycloheptyl]methyl]propanamide
CID 110160064
[amino-[3-oxo-3-[(1-phenylcyclopentyl)methylamino]propyl]sulfanylmethylidene]azanium
CID 4625533
ethyl 3-oxo-3-[(1-phenylcyclopropyl)methylamino]propanoate
CID 110474208
3-[methyl-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl]amino]propanoic acid
CID 119911689
N-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl]-2-phenylacetamide
CID 42145846
3-methoxy-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 110480493
4-chloro-N-[4-oxo-4-[(1-phenylcyclopropyl)methylamino]butyl]benzamide
CID 42145645
3-amino-N-[[1-(3-methylphenyl)cyclohexyl]methyl]propanamide
CID 119295111

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1-phenylcyclopropyl)methyl]propanamide?
The IUPAC name of 3-amino-N-[(1-phenylcyclopropyl)methyl]propanamide (CID 110460210) is 3-amino-N-[(1-phenylcyclopropyl)methyl]propanamide.
What is the SMILES notation for 3-amino-N-[(1-phenylcyclopropyl)methyl]propanamide?
The canonical SMILES for 3-amino-N-[(1-phenylcyclopropyl)methyl]propanamide is NCCC(=O)NCC1(c2ccccc2)CC1.
What is the InChIKey of 3-amino-N-[(1-phenylcyclopropyl)methyl]propanamide?
The InChIKey is KTQUSXNZPOMSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c14-9-6-12(16)15-10-13(7-8-13)11-4-2-1-3-5-11/h1-5H,6-10,14H2,(H,15,16).
What are the key properties of 3-amino-N-[(1-phenylcyclopropyl)methyl]propanamide?
3-amino-N-[(1-phenylcyclopropyl)methyl]propanamide has a molecular weight of 218.30 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1-phenylcyclopropyl)methyl]propanamide is sourced from PubChem (CID 110460210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).