N-(1-aminopropan-2-yl)-N-methyl-4-(phenoxymethyl)benzamide

C18H22N2O2 — CID 119582860

IUPACN-(1-aminopropan-2-yl)-N-methyl-4-(phenoxymethyl)benzamide
SMILESCC(CN)N(C)C(=O)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C18H22N2O2/c1-14(12-19)20(2)18(21)16-10-8-15(9-11-16)13-22-17-6-4-3-5-7-17/h3-11,14H,12-13,19H2,1-2H3
InChIKeyOOUPMUXLTIFIPH-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.68
Rot. Bonds6

About N-(1-aminopropan-2-yl)-N-methyl-4-(phenoxymethyl)benzamide

N-(1-aminopropan-2-yl)-N-methyl-4-(phenoxymethyl)benzamide (PubChem CID 119582860) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N-methyl-4-(phenoxymethyl)benzamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N-methyl-4-(phenoxymethyl)benzamide
PubChem CID119582860
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-(1-aminopropan-2-yl)-N-methyl-4-(phenoxymethyl)benzamide
SMILESCC(CN)N(C)C(=O)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C18H22N2O2/c1-14(12-19)20(2)18(21)16-10-8-15(9-11-16)13-22-17-6-4-3-5-7-17/h3-11,14H,12-13,19H2,1-2H3
InChIKeyOOUPMUXLTIFIPH-UHFFFAOYSA-N
XLogP2.68
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopropan-2-yl)-N-methyl-3-phenylmethoxybenzamide;hydrochloride
CID 119583865
N-(1-aminopropan-2-yl)-N-methyl-4-(3-methylbutoxy)benzamide
CID 119583468
N-(1-aminopropan-2-yl)-4-(cyclopropylmethoxy)-N-methylbenzamide
CID 119582823
N-(1-aminopropan-2-yl)-3-[(2-bromophenyl)methoxy]-N-methylbenzamide
CID 119581459
1-N-(1-aminopropan-2-yl)-4-N,4-N-diethyl-1-N-methylbenzene-1,4-dicarboxamide
CID 119584199
N-(1-aminopropan-2-yl)-4-(dimethylamino)-N-methylbenzamide
CID 104556646
ethane;4-(phenoxymethyl)benzoic acid;propane
CID 144638943
4-[(4-methoxyphenoxy)methyl]-N-methyl-N-phenylbenzamide
CID 122195803
N,N-diethyl-4-phenylmethoxybenzamide
CID 4958372
propan-2-yl 4-(phenoxymethyl)benzoate
CID 55357147
N-(1-aminopropan-2-yl)-3,4-dimethoxy-N-methylbenzamide
CID 112701397
N-cyclopentyl-N-ethyl-4-(phenoxymethyl)benzamide
CID 55587210

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-4-(phenoxymethyl)benzamide?
The IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-4-(phenoxymethyl)benzamide (CID 119582860) is N-(1-aminopropan-2-yl)-N-methyl-4-(phenoxymethyl)benzamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N-methyl-4-(phenoxymethyl)benzamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-N-methyl-4-(phenoxymethyl)benzamide is CC(CN)N(C)C(=O)c1ccc(COc2ccccc2)cc1.
What is the InChIKey of N-(1-aminopropan-2-yl)-N-methyl-4-(phenoxymethyl)benzamide?
The InChIKey is OOUPMUXLTIFIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-14(12-19)20(2)18(21)16-10-8-15(9-11-16)13-22-17-6-4-3-5-7-17/h3-11,14H,12-13,19H2,1-2H3.
What are the key properties of N-(1-aminopropan-2-yl)-N-methyl-4-(phenoxymethyl)benzamide?
N-(1-aminopropan-2-yl)-N-methyl-4-(phenoxymethyl)benzamide has a molecular weight of 298.39 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-N-methyl-4-(phenoxymethyl)benzamide is sourced from PubChem (CID 119582860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).