1-(aminomethyl)-N-phenylmethoxycyclopropane-1-carboxamide

C12H16N2O2 — CID 115453414

IUPAC1-(aminomethyl)-N-phenylmethoxycyclopropane-1-carboxamide
SMILESNCC1(C(=O)NOCc2ccccc2)CC1
InChIInChI=1S/C12H16N2O2/c13-9-12(6-7-12)11(15)14-16-8-10-4-2-1-3-5-10/h1-5H,6-9,13H2,(H,14,15)
InChIKeyMCRVOVKYGLDLNR-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.97
Rot. Bonds5

About 1-(aminomethyl)-N-phenylmethoxycyclopropane-1-carboxamide

1-(aminomethyl)-N-phenylmethoxycyclopropane-1-carboxamide (PubChem CID 115453414) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-(aminomethyl)-N-phenylmethoxycyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-phenylmethoxycyclopropane-1-carboxamide
PubChem CID115453414
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-(aminomethyl)-N-phenylmethoxycyclopropane-1-carboxamide
SMILESNCC1(C(=O)NOCc2ccccc2)CC1
InChIInChI=1S/C12H16N2O2/c13-9-12(6-7-12)11(15)14-16-8-10-4-2-1-3-5-10/h1-5H,6-9,13H2,(H,14,15)
InChIKeyMCRVOVKYGLDLNR-UHFFFAOYSA-N
XLogP0.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-N-phenylmethoxycyclopentane-1-carboxamide
CID 21491908
4-amino-N-phenylmethoxyoxane-4-carboxamide
CID 115295026
1-(aminomethyl)-N-ethoxycyclopropane-1-carboxamide
CID 115453415
benzyl 4-(aminomethyl)oxane-4-carboxylate
CID 115440225
1-[1-(aminomethyl)cyclopropyl]-3-phenylpropan-1-one
CID 116601238
7-amino-N-phenylmethoxyheptanamide
CID 59535540
4-(aminomethyl)-N-[2-(4-phenylmethoxyphenyl)ethyl]oxane-4-carboxamide
CID 120925955
1-methyl-3-phenylmethoxyurea
CID 14227198
benzyl N-[4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]carbamate;hydrochloride
CID 155387433
3-(2-aminoethoxy)-N-phenylmethoxypropanamide
CID 130524558
1-[(phenylmethoxyamino)methyl]cyclopentane-1-carboxylic acid
CID 71416986
2,3,4-trifluoro-N-phenylmethoxybenzamide
CID 79749238

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-phenylmethoxycyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-phenylmethoxycyclopropane-1-carboxamide (CID 115453414) is 1-(aminomethyl)-N-phenylmethoxycyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-phenylmethoxycyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-phenylmethoxycyclopropane-1-carboxamide is NCC1(C(=O)NOCc2ccccc2)CC1.
What is the InChIKey of 1-(aminomethyl)-N-phenylmethoxycyclopropane-1-carboxamide?
The InChIKey is MCRVOVKYGLDLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c13-9-12(6-7-12)11(15)14-16-8-10-4-2-1-3-5-10/h1-5H,6-9,13H2,(H,14,15).
What are the key properties of 1-(aminomethyl)-N-phenylmethoxycyclopropane-1-carboxamide?
1-(aminomethyl)-N-phenylmethoxycyclopropane-1-carboxamide has a molecular weight of 220.27 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-phenylmethoxycyclopropane-1-carboxamide is sourced from PubChem (CID 115453414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).