N-[2-[(dimethylamino)methyl]-4-methylphenyl]-3-propan-2-yloxypropanamide

C16H26N2O2 — CID 56790147

IUPACN-[2-[(dimethylamino)methyl]-4-methylphenyl]-3-propan-2-yloxypropanamide
SMILESCc1ccc(NC(=O)CCOC(C)C)c(CN(C)C)c1
InChIInChI=1S/C16H26N2O2/c1-12(2)20-9-8-16(19)17-15-7-6-13(3)10-14(15)11-18(4)5/h6-7,10,12H,8-9,11H2,1-5H3,(H,17,19)
InChIKeyXQNKIHQYCWGQTO-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.81
Rot. Bonds7

About N-[2-[(dimethylamino)methyl]-4-methylphenyl]-3-propan-2-yloxypropanamide

N-[2-[(dimethylamino)methyl]-4-methylphenyl]-3-propan-2-yloxypropanamide (PubChem CID 56790147) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[2-[(dimethylamino)methyl]-4-methylphenyl]-3-propan-2-yloxypropanamide.

Molecular Properties

Compound NameN-[2-[(dimethylamino)methyl]-4-methylphenyl]-3-propan-2-yloxypropanamide
PubChem CID56790147
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[2-[(dimethylamino)methyl]-4-methylphenyl]-3-propan-2-yloxypropanamide
SMILESCc1ccc(NC(=O)CCOC(C)C)c(CN(C)C)c1
InChIInChI=1S/C16H26N2O2/c1-12(2)20-9-8-16(19)17-15-7-6-13(3)10-14(15)11-18(4)5/h6-7,10,12H,8-9,11H2,1-5H3,(H,17,19)
InChIKeyXQNKIHQYCWGQTO-UHFFFAOYSA-N
XLogP2.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(dimethylamino)methyl]-4-methylphenyl]-3-piperidin-4-ylbutanamide
CID 119887755
N-(2-amino-4-methylphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide
CID 81059349
N-(5-amino-2-methylphenyl)-3-propan-2-yloxypropanamide;hydrochloride
CID 120568425
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[(dimethylamino)methyl]-4-methylphenyl]acetamide
CID 119887747
N-(2-aminophenyl)-3-propan-2-yloxypropanamide;hydrochloride
CID 119422035
N-[2-[(dimethylamino)methyl]phenyl]-4-hydroxypentanamide
CID 79204978
N-(4-methyl-2-nitrophenyl)-2-propan-2-yloxyacetamide
CID 112604437
N-(2-ethyl-4-methylphenyl)propanamide
CID 90352566
N-(2,4-dimethylphenyl)-4-methylpentanamide
CID 78775203
N-(4-amino-2-chlorophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide
CID 81035190
N,N-diethyl-2-(3-propan-2-yloxypropanoylamino)benzamide
CID 86835537
N-[2-[(dimethylamino)methyl]-4-methylphenyl]-2-methylpyridine-3-carboxamide
CID 75446631

Frequently Asked Questions

What is the IUPAC name of N-[2-[(dimethylamino)methyl]-4-methylphenyl]-3-propan-2-yloxypropanamide?
The IUPAC name of N-[2-[(dimethylamino)methyl]-4-methylphenyl]-3-propan-2-yloxypropanamide (CID 56790147) is N-[2-[(dimethylamino)methyl]-4-methylphenyl]-3-propan-2-yloxypropanamide.
What is the SMILES notation for N-[2-[(dimethylamino)methyl]-4-methylphenyl]-3-propan-2-yloxypropanamide?
The canonical SMILES for N-[2-[(dimethylamino)methyl]-4-methylphenyl]-3-propan-2-yloxypropanamide is Cc1ccc(NC(=O)CCOC(C)C)c(CN(C)C)c1.
What is the InChIKey of N-[2-[(dimethylamino)methyl]-4-methylphenyl]-3-propan-2-yloxypropanamide?
The InChIKey is XQNKIHQYCWGQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(2)20-9-8-16(19)17-15-7-6-13(3)10-14(15)11-18(4)5/h6-7,10,12H,8-9,11H2,1-5H3,(H,17,19).
What are the key properties of N-[2-[(dimethylamino)methyl]-4-methylphenyl]-3-propan-2-yloxypropanamide?
N-[2-[(dimethylamino)methyl]-4-methylphenyl]-3-propan-2-yloxypropanamide has a molecular weight of 278.40 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(dimethylamino)methyl]-4-methylphenyl]-3-propan-2-yloxypropanamide is sourced from PubChem (CID 56790147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).