N-(2-amino-1-cyclopropylethyl)-3-phenoxybenzamide

C18H20N2O2 — CID 86813866

IUPACN-(2-amino-1-cyclopropylethyl)-3-phenoxybenzamide
SMILESNCC(NC(=O)c1cccc(Oc2ccccc2)c1)C1CC1
InChIInChI=1S/C18H20N2O2/c19-12-17(13-9-10-13)20-18(21)14-5-4-8-16(11-14)22-15-6-2-1-3-7-15/h1-8,11,13,17H,9-10,12,19H2,(H,20,21)
InChIKeyCBHHEACMYNTDDS-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.95
Rot. Bonds6

About N-(2-amino-1-cyclopropylethyl)-3-phenoxybenzamide

N-(2-amino-1-cyclopropylethyl)-3-phenoxybenzamide (PubChem CID 86813866) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-3-phenoxybenzamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-3-phenoxybenzamide
PubChem CID86813866
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-(2-amino-1-cyclopropylethyl)-3-phenoxybenzamide
SMILESNCC(NC(=O)c1cccc(Oc2ccccc2)c1)C1CC1
InChIInChI=1S/C18H20N2O2/c19-12-17(13-9-10-13)20-18(21)14-5-4-8-16(11-14)22-15-6-2-1-3-7-15/h1-8,11,13,17H,9-10,12,19H2,(H,20,21)
InChIKeyCBHHEACMYNTDDS-UHFFFAOYSA-N
XLogP2.95
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-3-pyridin-4-yloxybenzamide;dihydrochloride
CID 86813863
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CID 65189109
N-(2-amino-1-cyclohexylethyl)-3-methoxybenzamide;hydrochloride
CID 119591989
N-(2-amino-1-cyclopentylethyl)-3-propoxybenzamide
CID 106737605
3-[(2-amino-1-cyclohexylethyl)carbamoyl]benzoic acid
CID 122153095
N-(2-amino-1-cyclopropylethyl)-3-(benzenesulfonylmethyl)benzamide
CID 119617679
N-pentan-3-yl-3-phenoxybenzamide
CID 2442055
1-N-(2-amino-1-cyclopropylethyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 119614508
methyl (2S)-3-hydroxy-2-[(3-phenoxybenzoyl)amino]propanoate
CID 9277490
N-(2-amino-1-cyclopropylethyl)-3-(tetrazol-1-yl)benzamide
CID 119614861
N-(2-amino-1-cyclopropylethyl)-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride
CID 119617687
N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-phenoxybenzamide
CID 78773277

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-phenoxybenzamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-phenoxybenzamide (CID 86813866) is N-(2-amino-1-cyclopropylethyl)-3-phenoxybenzamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-3-phenoxybenzamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-3-phenoxybenzamide is NCC(NC(=O)c1cccc(Oc2ccccc2)c1)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-3-phenoxybenzamide?
The InChIKey is CBHHEACMYNTDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c19-12-17(13-9-10-13)20-18(21)14-5-4-8-16(11-14)22-15-6-2-1-3-7-15/h1-8,11,13,17H,9-10,12,19H2,(H,20,21).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-3-phenoxybenzamide?
N-(2-amino-1-cyclopropylethyl)-3-phenoxybenzamide has a molecular weight of 296.37 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-3-phenoxybenzamide is sourced from PubChem (CID 86813866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).