2-[2-[[ethyl-[(2R)-3-methylbutan-2-yl]carbamoyl]amino]phenyl]-N,N-dimethylacetamide

C18H29N3O2 — CID 95130239

IUPAC2-[2-[[ethyl-[(2R)-3-methylbutan-2-yl]carbamoyl]amino]phenyl]-N,N-dimethylacetamide
SMILESCCN(C(=O)Nc1ccccc1CC(=O)N(C)C)[C@H](C)C(C)C
InChIInChI=1S/C18H29N3O2/c1-7-21(14(4)13(2)3)18(23)19-16-11-9-8-10-15(16)12-17(22)20(5)6/h8-11,13-14H,7,12H2,1-6H3,(H,19,23)/t14-/m1/s1
InChIKeyFKEWBAHGNUJSMN-CQSZACIVSA-N
MW319.45 g/mol
LogP3.22
Rot. Bonds6

About 2-[2-[[ethyl-[(2R)-3-methylbutan-2-yl]carbamoyl]amino]phenyl]-N,N-dimethylacetamide

2-[2-[[ethyl-[(2R)-3-methylbutan-2-yl]carbamoyl]amino]phenyl]-N,N-dimethylacetamide (PubChem CID 95130239) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-[2-[[ethyl-[(2R)-3-methylbutan-2-yl]carbamoyl]amino]phenyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-[[ethyl-[(2R)-3-methylbutan-2-yl]carbamoyl]amino]phenyl]-N,N-dimethylacetamide
PubChem CID95130239
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name2-[2-[[ethyl-[(2R)-3-methylbutan-2-yl]carbamoyl]amino]phenyl]-N,N-dimethylacetamide
SMILESCCN(C(=O)Nc1ccccc1CC(=O)N(C)C)[C@H](C)C(C)C
InChIInChI=1S/C18H29N3O2/c1-7-21(14(4)13(2)3)18(23)19-16-11-9-8-10-15(16)12-17(22)20(5)6/h8-11,13-14H,7,12H2,1-6H3,(H,19,23)/t14-/m1/s1
InChIKeyFKEWBAHGNUJSMN-CQSZACIVSA-N
XLogP3.22
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-2-[2-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 47377414
2-[2-[[cyclopropyl-[(2S,3S)-3-methylpentan-2-yl]carbamoyl]amino]phenyl]-N,N-dimethylacetamide
CID 95635900
2-[2-[[(2-bromophenyl)methyl-methylcarbamoyl]amino]phenyl]-N,N-dimethylacetamide
CID 60577453
N,N-dimethyl-2-[2-(3-methylbutylcarbamoylamino)phenyl]acetamide
CID 60576974
2-[2-[(2-chloroacetyl)amino]phenyl]-N,N-dimethylacetamide
CID 166404031
2-[2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]phenyl]acetic acid
CID 104553186
2-[2-(hexylcarbamoylamino)phenyl]-N,N-dimethylacetamide
CID 60577078
2-[2-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]phenyl]-N,N-dimethylacetamide
CID 60577554
2-[2-[1-(2-bromophenyl)ethylcarbamoylamino]phenyl]-N,N-dimethylacetamide
CID 60577056
3-[2-(ethoxymethyl)phenyl]-1-(2-hydroxypropyl)-1-propan-2-ylurea
CID 111754728
2-[2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]phenyl]acetic acid
CID 62534809
2-[2-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylcarbamoyl]amino]phenyl]-N,N-dimethylacetamide
CID 74232436

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[ethyl-[(2R)-3-methylbutan-2-yl]carbamoyl]amino]phenyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-[[ethyl-[(2R)-3-methylbutan-2-yl]carbamoyl]amino]phenyl]-N,N-dimethylacetamide (CID 95130239) is 2-[2-[[ethyl-[(2R)-3-methylbutan-2-yl]carbamoyl]amino]phenyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-[[ethyl-[(2R)-3-methylbutan-2-yl]carbamoyl]amino]phenyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-[[ethyl-[(2R)-3-methylbutan-2-yl]carbamoyl]amino]phenyl]-N,N-dimethylacetamide is CCN(C(=O)Nc1ccccc1CC(=O)N(C)C)[C@H](C)C(C)C.
What is the InChIKey of 2-[2-[[ethyl-[(2R)-3-methylbutan-2-yl]carbamoyl]amino]phenyl]-N,N-dimethylacetamide?
The InChIKey is FKEWBAHGNUJSMN-CQSZACIVSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-7-21(14(4)13(2)3)18(23)19-16-11-9-8-10-15(16)12-17(22)20(5)6/h8-11,13-14H,7,12H2,1-6H3,(H,19,23)/t14-/m1/s1.
What are the key properties of 2-[2-[[ethyl-[(2R)-3-methylbutan-2-yl]carbamoyl]amino]phenyl]-N,N-dimethylacetamide?
2-[2-[[ethyl-[(2R)-3-methylbutan-2-yl]carbamoyl]amino]phenyl]-N,N-dimethylacetamide has a molecular weight of 319.45 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[ethyl-[(2R)-3-methylbutan-2-yl]carbamoyl]amino]phenyl]-N,N-dimethylacetamide is sourced from PubChem (CID 95130239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).