N-[4-(butan-2-ylamino)phenyl]-N-methylacetamide

C13H20N2O — CID 115927646

IUPACN-[4-(butan-2-ylamino)phenyl]-N-methylacetamide
SMILESCCC(C)Nc1ccc(N(C)C(C)=O)cc1
InChIInChI=1S/C13H20N2O/c1-5-10(2)14-12-6-8-13(9-7-12)15(4)11(3)16/h6-10,14H,5H2,1-4H3
InChIKeySCSKVVYINLSZNF-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.88
Rot. Bonds4

About N-[4-(butan-2-ylamino)phenyl]-N-methylacetamide

N-[4-(butan-2-ylamino)phenyl]-N-methylacetamide (PubChem CID 115927646) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-[4-(butan-2-ylamino)phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[4-(butan-2-ylamino)phenyl]-N-methylacetamide
PubChem CID115927646
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-[4-(butan-2-ylamino)phenyl]-N-methylacetamide
SMILESCCC(C)Nc1ccc(N(C)C(C)=O)cc1
InChIInChI=1S/C13H20N2O/c1-5-10(2)14-12-6-8-13(9-7-12)15(4)11(3)16/h6-10,14H,5H2,1-4H3
InChIKeySCSKVVYINLSZNF-UHFFFAOYSA-N
XLogP2.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[acetyl(methyl)amino]anilino]-N-butan-2-ylacetamide
CID 54811338
1-N-butan-2-yl-4-N,4-N-dimethylbenzene-1,4-diamine
CID 21430110
N-[4-(butan-2-ylamino)phenyl]-2-methylpropanamide
CID 43683753
N-methyl-N-[4-[[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]acetamide
CID 95236398
4-[amino(butan-2-yl)amino]-N-butan-2-ylaniline;ethanol
CID 158773745
1-[4-(butan-2-ylamino)phenyl]-3-phenylurea
CID 112980502
N-[4-(butan-2-ylamino)phenyl]butanamide
CID 112980445
propan-2-yl 4-(butan-2-ylamino)benzoate
CID 43684062
O-[N-butan-2-yl-4-(butan-2-ylamino)anilino]hydroxylamine
CID 21339527
1-N,4-N-bis(5-methylhexan-2-yl)benzene-1,4-diamine;1-N,4-N-di(butan-2-yl)benzene-1,4-diamine
CID 19805826
2-[4-[acetyl(methyl)amino]anilino]-N-(2-chlorophenyl)propanamide
CID 86861166
N-[4-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]phenyl]-N-methylacetamide
CID 86861188

Frequently Asked Questions

What is the IUPAC name of N-[4-(butan-2-ylamino)phenyl]-N-methylacetamide?
The IUPAC name of N-[4-(butan-2-ylamino)phenyl]-N-methylacetamide (CID 115927646) is N-[4-(butan-2-ylamino)phenyl]-N-methylacetamide.
What is the SMILES notation for N-[4-(butan-2-ylamino)phenyl]-N-methylacetamide?
The canonical SMILES for N-[4-(butan-2-ylamino)phenyl]-N-methylacetamide is CCC(C)Nc1ccc(N(C)C(C)=O)cc1.
What is the InChIKey of N-[4-(butan-2-ylamino)phenyl]-N-methylacetamide?
The InChIKey is SCSKVVYINLSZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-5-10(2)14-12-6-8-13(9-7-12)15(4)11(3)16/h6-10,14H,5H2,1-4H3.
What are the key properties of N-[4-(butan-2-ylamino)phenyl]-N-methylacetamide?
N-[4-(butan-2-ylamino)phenyl]-N-methylacetamide has a molecular weight of 220.32 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butan-2-ylamino)phenyl]-N-methylacetamide is sourced from PubChem (CID 115927646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).