N,N-dimethyl-2-[2-(propan-2-ylcarbamoylamino)phenyl]acetamide

C14H21N3O2 — CID 47377414

IUPACN,N-dimethyl-2-[2-(propan-2-ylcarbamoylamino)phenyl]acetamide
SMILESCC(C)NC(=O)Nc1ccccc1CC(=O)N(C)C
InChIInChI=1S/C14H21N3O2/c1-10(2)15-14(19)16-12-8-6-5-7-11(12)9-13(18)17(3)4/h5-8,10H,9H2,1-4H3,(H2,15,16,19)
InChIKeyBSDZNZWLMCIDKY-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.85
Rot. Bonds4

About N,N-dimethyl-2-[2-(propan-2-ylcarbamoylamino)phenyl]acetamide

N,N-dimethyl-2-[2-(propan-2-ylcarbamoylamino)phenyl]acetamide (PubChem CID 47377414) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-(propan-2-ylcarbamoylamino)phenyl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-(propan-2-ylcarbamoylamino)phenyl]acetamide
PubChem CID47377414
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN,N-dimethyl-2-[2-(propan-2-ylcarbamoylamino)phenyl]acetamide
SMILESCC(C)NC(=O)Nc1ccccc1CC(=O)N(C)C
InChIInChI=1S/C14H21N3O2/c1-10(2)15-14(19)16-12-8-6-5-7-11(12)9-13(18)17(3)4/h5-8,10H,9H2,1-4H3,(H2,15,16,19)
InChIKeyBSDZNZWLMCIDKY-UHFFFAOYSA-N
XLogP1.85
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[1-(2-bromophenyl)ethylcarbamoylamino]phenyl]-N,N-dimethylacetamide
CID 60577056
N,N-dimethyl-2-[2-(3-methylbutylcarbamoylamino)phenyl]acetamide
CID 60576974
2-[2-[(2-chloroacetyl)amino]phenyl]-N,N-dimethylacetamide
CID 166404031
2-[2-[[ethyl-[(2R)-3-methylbutan-2-yl]carbamoyl]amino]phenyl]-N,N-dimethylacetamide
CID 95130239
2-[2-[1-(3,4-dimethylphenyl)propylcarbamoylamino]phenyl]-N,N-dimethylacetamide
CID 74248689
2-[2-(hexylcarbamoylamino)phenyl]-N,N-dimethylacetamide
CID 60577078
1-(2-methylsulfanylphenyl)-3-propan-2-ylurea
CID 23548353
1-(2-acetylphenyl)-3-propan-2-ylurea
CID 28738066
1-(2-methoxyphenyl)-3-propan-2-ylurea
CID 19167870
2-[2-[[(2-bromophenyl)methyl-methylcarbamoyl]amino]phenyl]-N,N-dimethylacetamide
CID 60577453
2-[2-[[cyclopropyl-[(2S,3S)-3-methylpentan-2-yl]carbamoyl]amino]phenyl]-N,N-dimethylacetamide
CID 95635900
2-[2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]phenyl]acetic acid
CID 62536151

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-(propan-2-ylcarbamoylamino)phenyl]acetamide?
The IUPAC name of N,N-dimethyl-2-[2-(propan-2-ylcarbamoylamino)phenyl]acetamide (CID 47377414) is N,N-dimethyl-2-[2-(propan-2-ylcarbamoylamino)phenyl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[2-(propan-2-ylcarbamoylamino)phenyl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[2-(propan-2-ylcarbamoylamino)phenyl]acetamide is CC(C)NC(=O)Nc1ccccc1CC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-[2-(propan-2-ylcarbamoylamino)phenyl]acetamide?
The InChIKey is BSDZNZWLMCIDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10(2)15-14(19)16-12-8-6-5-7-11(12)9-13(18)17(3)4/h5-8,10H,9H2,1-4H3,(H2,15,16,19).
What are the key properties of N,N-dimethyl-2-[2-(propan-2-ylcarbamoylamino)phenyl]acetamide?
N,N-dimethyl-2-[2-(propan-2-ylcarbamoylamino)phenyl]acetamide has a molecular weight of 263.34 g/mol, XLogP of 1.85, 4 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-(propan-2-ylcarbamoylamino)phenyl]acetamide is sourced from PubChem (CID 47377414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).