3-[(2-phenylcyclopropyl)methylamino]propanamide

C13H18N2O — CID 115919599

IUPAC3-[(2-phenylcyclopropyl)methylamino]propanamide
SMILESNC(=O)CCNCC1CC1c1ccccc1
InChIInChI=1S/C13H18N2O/c14-13(16)6-7-15-9-11-8-12(11)10-4-2-1-3-5-10/h1-5,11-12,15H,6-9H2,(H2,14,16)
InChIKeyNQOMKPXDQDGJJV-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.26
Rot. Bonds6

About 3-[(2-phenylcyclopropyl)methylamino]propanamide

3-[(2-phenylcyclopropyl)methylamino]propanamide (PubChem CID 115919599) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-[(2-phenylcyclopropyl)methylamino]propanamide.

Molecular Properties

Compound Name3-[(2-phenylcyclopropyl)methylamino]propanamide
PubChem CID115919599
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3-[(2-phenylcyclopropyl)methylamino]propanamide
SMILESNC(=O)CCNCC1CC1c1ccccc1
InChIInChI=1S/C13H18N2O/c14-13(16)6-7-15-9-11-8-12(11)10-4-2-1-3-5-10/h1-5,11-12,15H,6-9H2,(H2,14,16)
InChIKeyNQOMKPXDQDGJJV-UHFFFAOYSA-N
XLogP1.26
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[(1R,2R)-2-phenylcyclopropyl]methyl]pentan-1-amine
CID 124705421
N-[(2-phenylcyclopropyl)methyl]acetamide
CID 70274109
N-[[(1R,2R)-2-phenylcyclopropyl]methyl]acetamide
CID 70274106
5-[[(1R,2S)-2-phenylcyclopropyl]amino]pentanamide;hydrochloride
CID 67115781
4-[[(1R,2R)-2-phenylcyclopropyl]methylcarbamoylamino]butanoic acid
CID 122015490
3-[(1R,2S)-2-phenylcyclopropyl]propanoic acid
CID 124603501
1-hydroxy-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]urea
CID 15015094
N-[(2-phenylcyclopropyl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 115875952
1-cyclopropyl-3-[[(1R,2S)-2-phenylcyclopropyl]methyl]urea
CID 97081607
3-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)propanamide
CID 66418506
1-methoxy-3-(2-phenylcyclopropyl)propan-2-one
CID 161462275
ethyl 4-[[(1S,2R)-2-phenylcyclopropyl]methylamino]piperidine-1-carboxylate
CID 97056265

Frequently Asked Questions

What is the IUPAC name of 3-[(2-phenylcyclopropyl)methylamino]propanamide?
The IUPAC name of 3-[(2-phenylcyclopropyl)methylamino]propanamide (CID 115919599) is 3-[(2-phenylcyclopropyl)methylamino]propanamide.
What is the SMILES notation for 3-[(2-phenylcyclopropyl)methylamino]propanamide?
The canonical SMILES for 3-[(2-phenylcyclopropyl)methylamino]propanamide is NC(=O)CCNCC1CC1c1ccccc1.
What is the InChIKey of 3-[(2-phenylcyclopropyl)methylamino]propanamide?
The InChIKey is NQOMKPXDQDGJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c14-13(16)6-7-15-9-11-8-12(11)10-4-2-1-3-5-10/h1-5,11-12,15H,6-9H2,(H2,14,16).
What are the key properties of 3-[(2-phenylcyclopropyl)methylamino]propanamide?
3-[(2-phenylcyclopropyl)methylamino]propanamide has a molecular weight of 218.30 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-phenylcyclopropyl)methylamino]propanamide is sourced from PubChem (CID 115919599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).