2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]cyclopropane-1-carboxamide

C14H18N2O2 — CID 114997619

IUPAC2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]cyclopropane-1-carboxamide
SMILESNC1CC1C(=O)N(Cc1cccc(O)c1)C1CC1
InChIInChI=1S/C14H18N2O2/c15-13-7-12(13)14(18)16(10-4-5-10)8-9-2-1-3-11(17)6-9/h1-3,6,10,12-13,17H,4-5,7-8,15H2
InChIKeyHFNXTTADCSRBIM-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.23
Rot. Bonds4

About 2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]cyclopropane-1-carboxamide

2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]cyclopropane-1-carboxamide (PubChem CID 114997619) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]cyclopropane-1-carboxamide
PubChem CID114997619
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]cyclopropane-1-carboxamide
SMILESNC1CC1C(=O)N(Cc1cccc(O)c1)C1CC1
InChIInChI=1S/C14H18N2O2/c15-13-7-12(13)14(18)16(10-4-5-10)8-9-2-1-3-11(17)6-9/h1-3,6,10,12-13,17H,4-5,7-8,15H2
InChIKeyHFNXTTADCSRBIM-UHFFFAOYSA-N
XLogP1.23
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-2-amino-2-cyclopropyl-1-((S)-4-(2,5-difluorophenyl)-2-(3-hydroxyphenyl)-2H-pyrrol-1(5H)-yl)ethanone
CID 44409904
N-cyclopropyl-3-[1-(2-hydroxybenzyl)piperidin-4-yl]propanamide
CID 23723352
N-Cyclohexylmethyl-3-(3-hydroxy-phenyl)-2,2-dimethyl-3-methylamino-propionamide
CID 10245350
3-(Cyclopropylmethyl-methyl-amino)-3-(3-hydroxy-phenyl)-2,2-dimethyl-N-phenethyl-propionamide
CID 17798973
N-Cyclopropylmethyl-3-(3-hydroxy-phenyl)-2,2-dimethyl-3-methylamino-propionamide
CID 17798976
N-[(3-hydroxyphenyl)methyl]-N,2,2-trimethylbutanamide
CID 121446667
1H-Pyrrole-3-carboxamide, 2,5-dihydro-N-(3-(((3-hydroxyphenyl)methyl)amino)propyl)-2,2,5,5-tetramethyl-, dihydrochloride
CID 24845241
N-cyclopropyl-3-hydroxybenzamide
CID 28390689
N-[3-[(3-hydroxyphenyl)methylamino]propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
CID 24845242
N-[(3-hydroxyphenyl)methyl]nonanamide
CID 44315769
N-[3-[(3-hydroxyphenyl)methylamino]propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide;hydrochloride
CID 45264007
1-Benzyl-3-[(3-hydroxyphenyl)methylamino]pyrrolidin-2-one
CID 56822357

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]cyclopropane-1-carboxamide (CID 114997619) is 2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]cyclopropane-1-carboxamide is NC1CC1C(=O)N(Cc1cccc(O)c1)C1CC1.
What is the InChIKey of 2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is HFNXTTADCSRBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c15-13-7-12(13)14(18)16(10-4-5-10)8-9-2-1-3-11(17)6-9/h1-3,6,10,12-13,17H,4-5,7-8,15H2.
What are the key properties of 2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]cyclopropane-1-carboxamide?
2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 114997619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).