N-methyl-N-[[3-(3-methylbutan-2-ylamino)phenyl]methyl]acetamide

C15H24N2O — CID 43724408

IUPACN-methyl-N-[[3-(3-methylbutan-2-ylamino)phenyl]methyl]acetamide
SMILESCC(=O)N(C)Cc1cccc(NC(C)C(C)C)c1
InChIInChI=1S/C15H24N2O/c1-11(2)12(3)16-15-8-6-7-14(9-15)10-17(5)13(4)18/h6-9,11-12,16H,10H2,1-5H3
InChIKeyCZPNRVOIPNMKGD-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.12
Rot. Bonds5

About N-methyl-N-[[3-(3-methylbutan-2-ylamino)phenyl]methyl]acetamide

N-methyl-N-[[3-(3-methylbutan-2-ylamino)phenyl]methyl]acetamide (PubChem CID 43724408) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-methyl-N-[[3-(3-methylbutan-2-ylamino)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[[3-(3-methylbutan-2-ylamino)phenyl]methyl]acetamide
PubChem CID43724408
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-methyl-N-[[3-(3-methylbutan-2-ylamino)phenyl]methyl]acetamide
SMILESCC(=O)N(C)Cc1cccc(NC(C)C(C)C)c1
InChIInChI=1S/C15H24N2O/c1-11(2)12(3)16-15-8-6-7-14(9-15)10-17(5)13(4)18/h6-9,11-12,16H,10H2,1-5H3
InChIKeyCZPNRVOIPNMKGD-UHFFFAOYSA-N
XLogP3.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 43699889
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-aminobutanamide
CID 54924609
N-[[3-(butan-2-ylcarbamoylamino)phenyl]methyl]-N-methylacetamide
CID 47202792
N-[[3-(3,3-dimethylbutylamino)phenyl]methyl]-N-methylacetamide
CID 62950211
3-ethyl-N-(3-methylbutan-2-yl)aniline
CID 43196057
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-bromopropanamide
CID 113385188
3-(aminomethyl)-N-(3-methylbutan-2-yl)aniline
CID 126999262
N-[(3-hydroxyphenyl)methyl]-N-methylacetamide
CID 61150384
N-methyl-N-[[3-[(3-methylcyclobutyl)amino]phenyl]methyl]acetamide
CID 104860066
2-[3-[(dimethylamino)methyl]anilino]propanoic acid
CID 66173910
N-[[3-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]phenyl]methyl]-N-methylacetamide
CID 133409237
N-[(3-aminophenyl)methyl]-N-methylacetamide
CID 28819680

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[3-(3-methylbutan-2-ylamino)phenyl]methyl]acetamide?
The IUPAC name of N-methyl-N-[[3-(3-methylbutan-2-ylamino)phenyl]methyl]acetamide (CID 43724408) is N-methyl-N-[[3-(3-methylbutan-2-ylamino)phenyl]methyl]acetamide.
What is the SMILES notation for N-methyl-N-[[3-(3-methylbutan-2-ylamino)phenyl]methyl]acetamide?
The canonical SMILES for N-methyl-N-[[3-(3-methylbutan-2-ylamino)phenyl]methyl]acetamide is CC(=O)N(C)Cc1cccc(NC(C)C(C)C)c1.
What is the InChIKey of N-methyl-N-[[3-(3-methylbutan-2-ylamino)phenyl]methyl]acetamide?
The InChIKey is CZPNRVOIPNMKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11(2)12(3)16-15-8-6-7-14(9-15)10-17(5)13(4)18/h6-9,11-12,16H,10H2,1-5H3.
What are the key properties of N-methyl-N-[[3-(3-methylbutan-2-ylamino)phenyl]methyl]acetamide?
N-methyl-N-[[3-(3-methylbutan-2-ylamino)phenyl]methyl]acetamide has a molecular weight of 248.37 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[3-(3-methylbutan-2-ylamino)phenyl]methyl]acetamide is sourced from PubChem (CID 43724408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).