N-(1-amino-2-cyclopropylpropan-2-yl)-4-(phenoxymethyl)benzamide

C20H24N2O2 — CID 119573755

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-4-(phenoxymethyl)benzamide
SMILESCC(CN)(NC(=O)c1ccc(COc2ccccc2)cc1)C1CC1
InChIInChI=1S/C20H24N2O2/c1-20(14-21,17-11-12-17)22-19(23)16-9-7-15(8-10-16)13-24-18-5-3-2-4-6-18/h2-10,17H,11-14,21H2,1H3,(H,22,23)
InChIKeyFLJNKCHIOPQBIT-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.12
Rot. Bonds7

About N-(1-amino-2-cyclopropylpropan-2-yl)-4-(phenoxymethyl)benzamide

N-(1-amino-2-cyclopropylpropan-2-yl)-4-(phenoxymethyl)benzamide (PubChem CID 119573755) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-4-(phenoxymethyl)benzamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-4-(phenoxymethyl)benzamide
PubChem CID119573755
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-4-(phenoxymethyl)benzamide
SMILESCC(CN)(NC(=O)c1ccc(COc2ccccc2)cc1)C1CC1
InChIInChI=1S/C20H24N2O2/c1-20(14-21,17-11-12-17)22-19(23)16-9-7-15(8-10-16)13-24-18-5-3-2-4-6-18/h2-10,17H,11-14,21H2,1H3,(H,22,23)
InChIKeyFLJNKCHIOPQBIT-UHFFFAOYSA-N
XLogP3.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-4-(phenoxymethyl)benzamide;hydrochloride
CID 119522848
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[(3-methylphenyl)methoxy]benzamide
CID 119575218
N-(1-amino-2-cyclopropylpropan-2-yl)naphthalene-2-carboxamide;hydrochloride
CID 119575617
N-(1-hydroxy-2-methylpropan-2-yl)-4-(phenoxymethyl)benzamide
CID 110878329
N-(1-amino-2-cyclopropylpropan-2-yl)-5-[(3-bromophenoxy)methyl]furan-2-carboxamide
CID 119575372
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(2-methoxyethylsulfonyl)benzamide;hydrochloride
CID 119573538
N-cyclohexyl-4-(phenoxymethyl)benzamide
CID 40606245
N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethylbenzamide
CID 81485410
1-N-(1-amino-2-cyclopropylpropan-2-yl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide;hydrochloride
CID 119575007
N-(1-amino-2-cyclopropylpropan-2-yl)-4-ethylsulfonylbenzamide;hydrochloride
CID 119575421
N-(1-amino-2-cyclopropylpropan-2-yl)-4-propan-2-ylsulfanylbenzamide
CID 119575760
N-(1-amino-2-cyclopropylpropan-2-yl)-3-methoxy-4-methylbenzamide;hydrochloride
CID 119572342

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-4-(phenoxymethyl)benzamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-4-(phenoxymethyl)benzamide (CID 119573755) is N-(1-amino-2-cyclopropylpropan-2-yl)-4-(phenoxymethyl)benzamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-4-(phenoxymethyl)benzamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-4-(phenoxymethyl)benzamide is CC(CN)(NC(=O)c1ccc(COc2ccccc2)cc1)C1CC1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-4-(phenoxymethyl)benzamide?
The InChIKey is FLJNKCHIOPQBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-20(14-21,17-11-12-17)22-19(23)16-9-7-15(8-10-16)13-24-18-5-3-2-4-6-18/h2-10,17H,11-14,21H2,1H3,(H,22,23).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-4-(phenoxymethyl)benzamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(phenoxymethyl)benzamide has a molecular weight of 324.42 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-4-(phenoxymethyl)benzamide is sourced from PubChem (CID 119573755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).