N-[[3-(butan-2-ylcarbamoylamino)phenyl]methyl]-N-methylacetamide

C15H23N3O2 — CID 47202792

IUPACN-[[3-(butan-2-ylcarbamoylamino)phenyl]methyl]-N-methylacetamide
SMILESCCC(C)NC(=O)Nc1cccc(CN(C)C(C)=O)c1
InChIInChI=1S/C15H23N3O2/c1-5-11(2)16-15(20)17-14-8-6-7-13(9-14)10-18(4)12(3)19/h6-9,11H,5,10H2,1-4H3,(H2,16,17,20)
InChIKeyIUQQMFKPEGMKEO-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.58
Rot. Bonds5

About N-[[3-(butan-2-ylcarbamoylamino)phenyl]methyl]-N-methylacetamide

N-[[3-(butan-2-ylcarbamoylamino)phenyl]methyl]-N-methylacetamide (PubChem CID 47202792) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[[3-(butan-2-ylcarbamoylamino)phenyl]methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[[3-(butan-2-ylcarbamoylamino)phenyl]methyl]-N-methylacetamide
PubChem CID47202792
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[[3-(butan-2-ylcarbamoylamino)phenyl]methyl]-N-methylacetamide
SMILESCCC(C)NC(=O)Nc1cccc(CN(C)C(C)=O)c1
InChIInChI=1S/C15H23N3O2/c1-5-11(2)16-15(20)17-14-8-6-7-13(9-14)10-18(4)12(3)19/h6-9,11H,5,10H2,1-4H3,(H2,16,17,20)
InChIKeyIUQQMFKPEGMKEO-UHFFFAOYSA-N
XLogP2.58
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-[[(1S)-2-hydroxy-1-phenylethyl]carbamoylamino]phenyl]methyl]-N-methylacetamide
CID 56826961
N-[[3-[[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]carbamoylamino]phenyl]methyl]-N-methylacetamide
CID 95768857
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-aminobutanamide
CID 54924609
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-2-bromo-3-methylbutanamide
CID 43699889
N-methyl-N-[[3-(3-methylbutan-2-ylamino)phenyl]methyl]acetamide
CID 43724408
N-[[3-[[(2S)-2-hydroxy-2-methylbutyl]carbamoylamino]phenyl]methyl]-N-methylacetamide
CID 95168016
1-[3-[(dimethylamino)methyl]phenyl]-3-(1-hydroxybutan-2-yl)urea
CID 47202599
1-[(2R)-butan-2-yl]-3-(3-chlorophenyl)urea
CID 1376673
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-bromopropanamide
CID 113385188
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-2-aminohexanamide
CID 60854220
1-butan-2-yl-3-(3-methylsulfanylphenyl)urea
CID 17087558
1-butan-2-yl-3-(3-cyanophenyl)urea
CID 42928067

Frequently Asked Questions

What is the IUPAC name of N-[[3-(butan-2-ylcarbamoylamino)phenyl]methyl]-N-methylacetamide?
The IUPAC name of N-[[3-(butan-2-ylcarbamoylamino)phenyl]methyl]-N-methylacetamide (CID 47202792) is N-[[3-(butan-2-ylcarbamoylamino)phenyl]methyl]-N-methylacetamide.
What is the SMILES notation for N-[[3-(butan-2-ylcarbamoylamino)phenyl]methyl]-N-methylacetamide?
The canonical SMILES for N-[[3-(butan-2-ylcarbamoylamino)phenyl]methyl]-N-methylacetamide is CCC(C)NC(=O)Nc1cccc(CN(C)C(C)=O)c1.
What is the InChIKey of N-[[3-(butan-2-ylcarbamoylamino)phenyl]methyl]-N-methylacetamide?
The InChIKey is IUQQMFKPEGMKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-5-11(2)16-15(20)17-14-8-6-7-13(9-14)10-18(4)12(3)19/h6-9,11H,5,10H2,1-4H3,(H2,16,17,20).
What are the key properties of N-[[3-(butan-2-ylcarbamoylamino)phenyl]methyl]-N-methylacetamide?
N-[[3-(butan-2-ylcarbamoylamino)phenyl]methyl]-N-methylacetamide has a molecular weight of 277.37 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(butan-2-ylcarbamoylamino)phenyl]methyl]-N-methylacetamide is sourced from PubChem (CID 47202792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).