1-amino-N-[(3-butoxyphenyl)methyl]cyclopropane-1-carboxamide

C15H22N2O2 — CID 83326258

IUPAC1-amino-N-[(3-butoxyphenyl)methyl]cyclopropane-1-carboxamide
SMILESCCCCOc1cccc(CNC(=O)C2(N)CC2)c1
InChIInChI=1S/C15H22N2O2/c1-2-3-9-19-13-6-4-5-12(10-13)11-17-14(18)15(16)7-8-15/h4-6,10H,2-3,7-9,11,16H2,1H3,(H,17,18)
InChIKeyUASXFXLAJKDVHQ-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.97
Rot. Bonds7

About 1-amino-N-[(3-butoxyphenyl)methyl]cyclopropane-1-carboxamide

1-amino-N-[(3-butoxyphenyl)methyl]cyclopropane-1-carboxamide (PubChem CID 83326258) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-amino-N-[(3-butoxyphenyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[(3-butoxyphenyl)methyl]cyclopropane-1-carboxamide
PubChem CID83326258
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-amino-N-[(3-butoxyphenyl)methyl]cyclopropane-1-carboxamide
SMILESCCCCOc1cccc(CNC(=O)C2(N)CC2)c1
InChIInChI=1S/C15H22N2O2/c1-2-3-9-19-13-6-4-5-12(10-13)11-17-14(18)15(16)7-8-15/h4-6,10H,2-3,7-9,11,16H2,1H3,(H,17,18)
InChIKeyUASXFXLAJKDVHQ-UHFFFAOYSA-N
XLogP1.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.97
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

1-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]cyclopropane-1-carboxamide
CID 119740364
methyl 2-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenoxy]acetate
CID 119787093
1-amino-N-[[3-(2-amino-2-oxoethoxy)phenyl]methyl]cyclohexane-1-carboxamide
CID 119302175
1-amino-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]cyclopentane-1-carboxamide
CID 119283211
1-amino-N-[[3-(difluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide
CID 83316158
1-amino-N-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]cyclopentane-1-carboxamide
CID 119875616
(2S)-2-amino-N-[(3-butoxyphenyl)methyl]-3,3-dimethylbutanamide
CID 119714525
N-[(3-butoxyphenyl)methyl]ethanamine
CID 43278316
4-[4-[(3-butoxyphenyl)methylcarbamoyl]phenoxy]benzamide
CID 56548843
N-[(3-butoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119284523
1-amino-N-[[3-[[butyl(ethyl)amino]methyl]phenyl]methyl]cyclopentane-1-carboxamide
CID 119898241
N-[(3-butoxyphenyl)methyl]-3-ethylthiophene-2-carboxamide
CID 60566887

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(3-butoxyphenyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[(3-butoxyphenyl)methyl]cyclopropane-1-carboxamide (CID 83326258) is 1-amino-N-[(3-butoxyphenyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[(3-butoxyphenyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[(3-butoxyphenyl)methyl]cyclopropane-1-carboxamide is CCCCOc1cccc(CNC(=O)C2(N)CC2)c1.
What is the InChIKey of 1-amino-N-[(3-butoxyphenyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is UASXFXLAJKDVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-3-9-19-13-6-4-5-12(10-13)11-17-14(18)15(16)7-8-15/h4-6,10H,2-3,7-9,11,16H2,1H3,(H,17,18).
What are the key properties of 1-amino-N-[(3-butoxyphenyl)methyl]cyclopropane-1-carboxamide?
1-amino-N-[(3-butoxyphenyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(3-butoxyphenyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 83326258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).