4-[(4-methoxybutan-2-ylamino)methyl]-3-methylbenzamide

C14H22N2O2 — CID 114480398

IUPAC4-[(4-methoxybutan-2-ylamino)methyl]-3-methylbenzamide
SMILESCOCCC(C)NCc1ccc(C(N)=O)cc1C
InChIInChI=1S/C14H22N2O2/c1-10-8-12(14(15)17)4-5-13(10)9-16-11(2)6-7-18-3/h4-5,8,11,16H,6-7,9H2,1-3H3,(H2,15,17)
InChIKeyPAUYEFKUMWRUMP-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.61
Rot. Bonds7

About 4-[(4-methoxybutan-2-ylamino)methyl]-3-methylbenzamide

4-[(4-methoxybutan-2-ylamino)methyl]-3-methylbenzamide (PubChem CID 114480398) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-[(4-methoxybutan-2-ylamino)methyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-[(4-methoxybutan-2-ylamino)methyl]-3-methylbenzamide
PubChem CID114480398
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-[(4-methoxybutan-2-ylamino)methyl]-3-methylbenzamide
SMILESCOCCC(C)NCc1ccc(C(N)=O)cc1C
InChIInChI=1S/C14H22N2O2/c1-10-8-12(14(15)17)4-5-13(10)9-16-11(2)6-7-18-3/h4-5,8,11,16H,6-7,9H2,1-3H3,(H2,15,17)
InChIKeyPAUYEFKUMWRUMP-UHFFFAOYSA-N
XLogP1.61
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-[(4-methylsulfinylbutan-2-ylamino)methyl]benzamide
CID 114480829
3-methyl-4-[(propan-2-ylamino)methyl]benzamide
CID 114479524
3-methyl-4-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]benzamide
CID 104930123
N-[(4-chloro-2-methylphenyl)methyl]-4-methoxybutan-2-amine
CID 104854106
3-methyl-4-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]benzamide
CID 114480039
3-methyl-4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]benzamide
CID 104930103
4-fluoro-3-[(1-methoxypropan-2-ylamino)methyl]benzamide
CID 43199134
4-[(4-methoxybutan-2-ylamino)methyl]benzoic acid
CID 64605268
3-fluoro-4-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]benzamide
CID 65049143
4-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-3-methylbenzamide
CID 114480030
4-fluoro-3-[(pentan-2-ylamino)methyl]benzamide
CID 43199111
4-[[2-(methoxymethyl)anilino]methyl]-3-methylbenzamide
CID 114480071

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxybutan-2-ylamino)methyl]-3-methylbenzamide?
The IUPAC name of 4-[(4-methoxybutan-2-ylamino)methyl]-3-methylbenzamide (CID 114480398) is 4-[(4-methoxybutan-2-ylamino)methyl]-3-methylbenzamide.
What is the SMILES notation for 4-[(4-methoxybutan-2-ylamino)methyl]-3-methylbenzamide?
The canonical SMILES for 4-[(4-methoxybutan-2-ylamino)methyl]-3-methylbenzamide is COCCC(C)NCc1ccc(C(N)=O)cc1C.
What is the InChIKey of 4-[(4-methoxybutan-2-ylamino)methyl]-3-methylbenzamide?
The InChIKey is PAUYEFKUMWRUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-8-12(14(15)17)4-5-13(10)9-16-11(2)6-7-18-3/h4-5,8,11,16H,6-7,9H2,1-3H3,(H2,15,17).
What are the key properties of 4-[(4-methoxybutan-2-ylamino)methyl]-3-methylbenzamide?
4-[(4-methoxybutan-2-ylamino)methyl]-3-methylbenzamide has a molecular weight of 250.34 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxybutan-2-ylamino)methyl]-3-methylbenzamide is sourced from PubChem (CID 114480398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).