N-methyl-N-(4-methylpentan-2-yl)-2-(propylamino)benzamide

C17H28N2O — CID 62177403

IUPACN-methyl-N-(4-methylpentan-2-yl)-2-(propylamino)benzamide
SMILESCCCNc1ccccc1C(=O)N(C)C(C)CC(C)C
InChIInChI=1S/C17H28N2O/c1-6-11-18-16-10-8-7-9-15(16)17(20)19(5)14(4)12-13(2)3/h7-10,13-14,18H,6,11-12H2,1-5H3
InChIKeyKXRCMLILOZEUBO-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.02
Rot. Bonds7

About N-methyl-N-(4-methylpentan-2-yl)-2-(propylamino)benzamide

N-methyl-N-(4-methylpentan-2-yl)-2-(propylamino)benzamide (PubChem CID 62177403) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-methyl-N-(4-methylpentan-2-yl)-2-(propylamino)benzamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylpentan-2-yl)-2-(propylamino)benzamide
PubChem CID62177403
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-methyl-N-(4-methylpentan-2-yl)-2-(propylamino)benzamide
SMILESCCCNc1ccccc1C(=O)N(C)C(C)CC(C)C
InChIInChI=1S/C17H28N2O/c1-6-11-18-16-10-8-7-9-15(16)17(20)19(5)14(4)12-13(2)3/h7-10,13-14,18H,6,11-12H2,1-5H3
InChIKeyKXRCMLILOZEUBO-UHFFFAOYSA-N
XLogP4.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-propan-2-yl-2-(propylamino)benzamide
CID 62166178
N-(1-methoxypropan-2-yl)-N-methyl-2-(propylamino)benzamide
CID 62180129
N-(2-hydroxypropyl)-N-methyl-2-(propylamino)benzamide
CID 55061041
N-(2-methylpropyl)-N-propan-2-yl-2-(propylamino)benzamide
CID 62176891
N,N-diethyl-2-(propylamino)benzamide
CID 62171276
N,6-dimethyl-N-(4-methylpentan-2-yl)-4-(propylamino)pyridine-3-carboxamide
CID 81237786
N-cyclopropyl-N-methyl-2-(propylamino)benzamide
CID 62169629
N-pentyl-N-propan-2-yl-2-(propylamino)benzamide
CID 62174124
N-methyl-N-(4-methylpentan-2-yl)-6-(propylamino)pyridine-2-carboxamide
CID 62238841
2,3-difluoro-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 55133305
N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-(propylamino)benzamide
CID 63107687
N-propan-2-yl-N-prop-2-enyl-2-(propylamino)benzamide
CID 63108031

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylpentan-2-yl)-2-(propylamino)benzamide?
The IUPAC name of N-methyl-N-(4-methylpentan-2-yl)-2-(propylamino)benzamide (CID 62177403) is N-methyl-N-(4-methylpentan-2-yl)-2-(propylamino)benzamide.
What is the SMILES notation for N-methyl-N-(4-methylpentan-2-yl)-2-(propylamino)benzamide?
The canonical SMILES for N-methyl-N-(4-methylpentan-2-yl)-2-(propylamino)benzamide is CCCNc1ccccc1C(=O)N(C)C(C)CC(C)C.
What is the InChIKey of N-methyl-N-(4-methylpentan-2-yl)-2-(propylamino)benzamide?
The InChIKey is KXRCMLILOZEUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-6-11-18-16-10-8-7-9-15(16)17(20)19(5)14(4)12-13(2)3/h7-10,13-14,18H,6,11-12H2,1-5H3.
What are the key properties of N-methyl-N-(4-methylpentan-2-yl)-2-(propylamino)benzamide?
N-methyl-N-(4-methylpentan-2-yl)-2-(propylamino)benzamide has a molecular weight of 276.42 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylpentan-2-yl)-2-(propylamino)benzamide is sourced from PubChem (CID 62177403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).