N-(3-aminopropyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide

C20H24N2O2 — CID 119406404

IUPACN-(3-aminopropyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
SMILESNCCCNC(=O)C1CC1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H24N2O2/c21-11-4-12-22-20(23)19-13-18(19)16-7-9-17(10-8-16)24-14-15-5-2-1-3-6-15/h1-3,5-10,18-19H,4,11-14,21H2,(H,22,23)
InChIKeyRYZJBSLEBPLPBY-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.83
Rot. Bonds8

About N-(3-aminopropyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide

N-(3-aminopropyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 119406404) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
PubChem CID119406404
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-(3-aminopropyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
SMILESNCCCNC(=O)C1CC1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H24N2O2/c21-11-4-12-22-20(23)19-13-18(19)16-7-9-17(10-8-16)24-14-15-5-2-1-3-6-15/h1-3,5-10,18-19H,4,11-14,21H2,(H,22,23)
InChIKeyRYZJBSLEBPLPBY-UHFFFAOYSA-N
XLogP2.83
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminobutyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119496644
N-methyl-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 56787945
2-(4-phenylmethoxyphenyl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide;hydrochloride
CID 119446523
trans-(1R,2R)-N-(1H-imidazol-2-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 97082415
cis-(1R,2S)-N-(1H-imidazol-2-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 97082416
N-[1-(aminomethyl)cyclopentyl]-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119566231
cis-(1S,3R)-3-[[2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120674882
trans-ethyl (1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxylate
CID 66714771
N-[3-(4-hydroxyphenyl)propyl]-2-phenylcyclopropane-1-carboxamide
CID 110612039
1-[(2R)-2-methylcyclopropyl]-4-phenylmethoxybenzene
CID 121309338
cis-(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
CID 51888240
1-[4-[(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 166287114

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(3-aminopropyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide (CID 119406404) is N-(3-aminopropyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide is NCCCNC(=O)C1CC1c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-(3-aminopropyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is RYZJBSLEBPLPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c21-11-4-12-22-20(23)19-13-18(19)16-7-9-17(10-8-16)24-14-15-5-2-1-3-6-15/h1-3,5-10,18-19H,4,11-14,21H2,(H,22,23).
What are the key properties of N-(3-aminopropyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide?
N-(3-aminopropyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 324.42 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 119406404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).