N-(1-amino-2-cyclopropylpropan-2-yl)-3-[(3-methylphenyl)methoxy]benzamide

C21H26N2O2 — CID 119575218

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-3-[(3-methylphenyl)methoxy]benzamide
SMILESCc1cccc(COc2cccc(C(=O)NC(C)(CN)C3CC3)c2)c1
InChIInChI=1S/C21H26N2O2/c1-15-5-3-6-16(11-15)13-25-19-8-4-7-17(12-19)20(24)23-21(2,14-22)18-9-10-18/h3-8,11-12,18H,9-10,13-14,22H2,1-2H3,(H,23,24)
InChIKeyLSEOXNJXFPDWJX-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.43
Rot. Bonds7

About N-(1-amino-2-cyclopropylpropan-2-yl)-3-[(3-methylphenyl)methoxy]benzamide

N-(1-amino-2-cyclopropylpropan-2-yl)-3-[(3-methylphenyl)methoxy]benzamide (PubChem CID 119575218) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-3-[(3-methylphenyl)methoxy]benzamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-3-[(3-methylphenyl)methoxy]benzamide
PubChem CID119575218
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-3-[(3-methylphenyl)methoxy]benzamide
SMILESCc1cccc(COc2cccc(C(=O)NC(C)(CN)C3CC3)c2)c1
InChIInChI=1S/C21H26N2O2/c1-15-5-3-6-16(11-15)13-25-19-8-4-7-17(12-19)20(24)23-21(2,14-22)18-9-10-18/h3-8,11-12,18H,9-10,13-14,22H2,1-2H3,(H,23,24)
InChIKeyLSEOXNJXFPDWJX-UHFFFAOYSA-N
XLogP3.43
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-3-propoxybenzamide
CID 81487028
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(phenoxymethyl)benzamide
CID 119573755
N-(1-amino-2-cyclopropylpropan-2-yl)-3-pyridin-4-yloxybenzamide
CID 119572563
3-[(3-methylphenyl)methoxy]-N-(oxan-2-yloxy)benzamide
CID 60612242
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 119574242
N-(1-amino-2-methylpropan-2-yl)-3-[(3-chlorophenyl)methoxy]benzamide
CID 119521607
N-(1-amino-2-cyclopropylpropan-2-yl)-5-[(3-bromophenoxy)methyl]furan-2-carboxamide
CID 119575372
3-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]benzoic acid
CID 164625380
N-(1-amino-2-cyclopropylpropan-2-yl)naphthalene-2-carboxamide;hydrochloride
CID 119575617
N-(3-amino-2-methylpropyl)-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride
CID 119995953
N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethylbenzamide
CID 81485410
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride
CID 119458703

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3-[(3-methylphenyl)methoxy]benzamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3-[(3-methylphenyl)methoxy]benzamide (CID 119575218) is N-(1-amino-2-cyclopropylpropan-2-yl)-3-[(3-methylphenyl)methoxy]benzamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-3-[(3-methylphenyl)methoxy]benzamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-3-[(3-methylphenyl)methoxy]benzamide is Cc1cccc(COc2cccc(C(=O)NC(C)(CN)C3CC3)c2)c1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-3-[(3-methylphenyl)methoxy]benzamide?
The InChIKey is LSEOXNJXFPDWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-15-5-3-6-16(11-15)13-25-19-8-4-7-17(12-19)20(24)23-21(2,14-22)18-9-10-18/h3-8,11-12,18H,9-10,13-14,22H2,1-2H3,(H,23,24).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-3-[(3-methylphenyl)methoxy]benzamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[(3-methylphenyl)methoxy]benzamide has a molecular weight of 338.45 g/mol, XLogP of 3.43, 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)-3-[(3-methylphenyl)methoxy]benzamide is sourced from PubChem (CID 119575218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).