N,N-dimethyl-2-[2-(3-methylbutylcarbamoylamino)phenyl]acetamide

C16H25N3O2 — CID 60576974

IUPACN,N-dimethyl-2-[2-(3-methylbutylcarbamoylamino)phenyl]acetamide
SMILESCC(C)CCNC(=O)Nc1ccccc1CC(=O)N(C)C
InChIInChI=1S/C16H25N3O2/c1-12(2)9-10-17-16(21)18-14-8-6-5-7-13(14)11-15(20)19(3)4/h5-8,12H,9-11H2,1-4H3,(H2,17,18,21)
InChIKeyBSFCZPSAFPNRQL-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.48
Rot. Bonds6

About N,N-dimethyl-2-[2-(3-methylbutylcarbamoylamino)phenyl]acetamide

N,N-dimethyl-2-[2-(3-methylbutylcarbamoylamino)phenyl]acetamide (PubChem CID 60576974) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-(3-methylbutylcarbamoylamino)phenyl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-(3-methylbutylcarbamoylamino)phenyl]acetamide
PubChem CID60576974
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC NameN,N-dimethyl-2-[2-(3-methylbutylcarbamoylamino)phenyl]acetamide
SMILESCC(C)CCNC(=O)Nc1ccccc1CC(=O)N(C)C
InChIInChI=1S/C16H25N3O2/c1-12(2)9-10-17-16(21)18-14-8-6-5-7-13(14)11-15(20)19(3)4/h5-8,12H,9-11H2,1-4H3,(H2,17,18,21)
InChIKeyBSFCZPSAFPNRQL-UHFFFAOYSA-N
XLogP2.48
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-2-[2-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 47377414
2-[2-(hexylcarbamoylamino)phenyl]-N,N-dimethylacetamide
CID 60577078
1-(2-tert-butylphenyl)-3-(3-methylbutyl)urea
CID 47195294
2-[2-[(2-chloroacetyl)amino]phenyl]-N,N-dimethylacetamide
CID 166404031
2-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]phenyl]-N,N-dimethylacetamide
CID 118789686
1-(2,3-dimethylphenyl)-3-(3-methylbutyl)urea
CID 47192192
2-[2-[1-(2-bromophenyl)ethylcarbamoylamino]phenyl]-N,N-dimethylacetamide
CID 60577056
N-[2-[[2-(2-amino-2-oxoethyl)phenyl]carbamoylamino]ethyl]-2-methylpropanamide
CID 51080425
1-[2-(ethoxymethyl)phenyl]-3-(3-hydroxybutyl)urea
CID 111336885
2-[2-[[ethyl-[(2R)-3-methylbutan-2-yl]carbamoyl]amino]phenyl]-N,N-dimethylacetamide
CID 95130239
N,N-dimethyl-2-[(2-methylsulfanylphenyl)carbamoylamino]acetamide
CID 47195585
1-[2-(dimethylamino)ethyl]-3-(2-ethylphenyl)urea
CID 23764430

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-(3-methylbutylcarbamoylamino)phenyl]acetamide?
The IUPAC name of N,N-dimethyl-2-[2-(3-methylbutylcarbamoylamino)phenyl]acetamide (CID 60576974) is N,N-dimethyl-2-[2-(3-methylbutylcarbamoylamino)phenyl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[2-(3-methylbutylcarbamoylamino)phenyl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[2-(3-methylbutylcarbamoylamino)phenyl]acetamide is CC(C)CCNC(=O)Nc1ccccc1CC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-[2-(3-methylbutylcarbamoylamino)phenyl]acetamide?
The InChIKey is BSFCZPSAFPNRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12(2)9-10-17-16(21)18-14-8-6-5-7-13(14)11-15(20)19(3)4/h5-8,12H,9-11H2,1-4H3,(H2,17,18,21).
What are the key properties of N,N-dimethyl-2-[2-(3-methylbutylcarbamoylamino)phenyl]acetamide?
N,N-dimethyl-2-[2-(3-methylbutylcarbamoylamino)phenyl]acetamide has a molecular weight of 291.40 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-(3-methylbutylcarbamoylamino)phenyl]acetamide is sourced from PubChem (CID 60576974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).