N-[4-[acetyl(cyclopropyl)amino]phenyl]-2,2-dimethylpropanamide

C16H22N2O2 — CID 113094036

IUPACN-[4-[acetyl(cyclopropyl)amino]phenyl]-2,2-dimethylpropanamide
SMILESCC(=O)N(c1ccc(NC(=O)C(C)(C)C)cc1)C1CC1
InChIInChI=1S/C16H22N2O2/c1-11(19)18(14-9-10-14)13-7-5-12(6-8-13)17-15(20)16(2,3)4/h5-8,14H,9-10H2,1-4H3,(H,17,20)
InChIKeyATLPZMHOPWIFSP-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.19
Rot. Bonds3

About N-[4-[acetyl(cyclopropyl)amino]phenyl]-2,2-dimethylpropanamide

N-[4-[acetyl(cyclopropyl)amino]phenyl]-2,2-dimethylpropanamide (PubChem CID 113094036) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[4-[acetyl(cyclopropyl)amino]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[acetyl(cyclopropyl)amino]phenyl]-2,2-dimethylpropanamide
PubChem CID113094036
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[4-[acetyl(cyclopropyl)amino]phenyl]-2,2-dimethylpropanamide
SMILESCC(=O)N(c1ccc(NC(=O)C(C)(C)C)cc1)C1CC1
InChIInChI=1S/C16H22N2O2/c1-11(19)18(14-9-10-14)13-7-5-12(6-8-13)17-15(20)16(2,3)4/h5-8,14H,9-10H2,1-4H3,(H,17,20)
InChIKeyATLPZMHOPWIFSP-UHFFFAOYSA-N
XLogP3.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[acetyl(cyclopropyl)amino]phenyl]cyclopropanecarboxamide
CID 113094031
N-cyclopropyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 113094101
N-[4-[acetyl(cyclopropyl)amino]phenyl]-4-chlorobenzamide
CID 113094075
N-[4-[acetyl(cyclopropyl)amino]phenyl]-2-bromobenzamide
CID 113094047
methyl N-(4-acetamidophenyl)-N-cyclopropylcarbamate
CID 113095123
N-[4-[acetyl(cyclopropyl)amino]phenyl]-3-bromobenzamide
CID 113094048
N-(oxan-4-yl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 113094206
N-[4-(cyclopropylcarbamoylamino)phenyl]-N-(oxan-4-yl)acetamide
CID 113094214
(3S,4S)-1-[[4-[acetyl(cyclopropyl)amino]phenyl]carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122094374
N-[4-[acetyl(oxan-4-yl)amino]phenyl]butanamide
CID 113094156
N-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-methylbenzamide
CID 113094170
N-(4-acetamidophenyl)-N-cyclopropyl-2-ethylbutanamide
CID 113095067

Frequently Asked Questions

What is the IUPAC name of N-[4-[acetyl(cyclopropyl)amino]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-[acetyl(cyclopropyl)amino]phenyl]-2,2-dimethylpropanamide (CID 113094036) is N-[4-[acetyl(cyclopropyl)amino]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[acetyl(cyclopropyl)amino]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-[acetyl(cyclopropyl)amino]phenyl]-2,2-dimethylpropanamide is CC(=O)N(c1ccc(NC(=O)C(C)(C)C)cc1)C1CC1.
What is the InChIKey of N-[4-[acetyl(cyclopropyl)amino]phenyl]-2,2-dimethylpropanamide?
The InChIKey is ATLPZMHOPWIFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11(19)18(14-9-10-14)13-7-5-12(6-8-13)17-15(20)16(2,3)4/h5-8,14H,9-10H2,1-4H3,(H,17,20).
What are the key properties of N-[4-[acetyl(cyclopropyl)amino]phenyl]-2,2-dimethylpropanamide?
N-[4-[acetyl(cyclopropyl)amino]phenyl]-2,2-dimethylpropanamide has a molecular weight of 274.36 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[acetyl(cyclopropyl)amino]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 113094036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).