N-[4-[(2-tert-butylcyclohexyl)amino]phenyl]acetamide

C18H28N2O — CID 43097277

IUPACN-[4-[(2-tert-butylcyclohexyl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC2CCCCC2C(C)(C)C)cc1
InChIInChI=1S/C18H28N2O/c1-13(21)19-14-9-11-15(12-10-14)20-17-8-6-5-7-16(17)18(2,3)4/h9-12,16-17,20H,5-8H2,1-4H3,(H,19,21)
InChIKeyUQRIKZHZUPUNFJ-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.66
Rot. Bonds3

About N-[4-[(2-tert-butylcyclohexyl)amino]phenyl]acetamide

N-[4-[(2-tert-butylcyclohexyl)amino]phenyl]acetamide (PubChem CID 43097277) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[4-[(2-tert-butylcyclohexyl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2-tert-butylcyclohexyl)amino]phenyl]acetamide
PubChem CID43097277
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[4-[(2-tert-butylcyclohexyl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC2CCCCC2C(C)(C)C)cc1
InChIInChI=1S/C18H28N2O/c1-13(21)19-14-9-11-15(12-10-14)20-17-8-6-5-7-16(17)18(2,3)4/h9-12,16-17,20H,5-8H2,1-4H3,(H,19,21)
InChIKeyUQRIKZHZUPUNFJ-UHFFFAOYSA-N
XLogP4.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-tert-butylcyclohexyl)aniline
CID 43100698
4-[(2-tert-butylcyclohexyl)amino]benzenesulfonamide
CID 43105411
N-(2-tert-butylcyclohexyl)-3,4-difluoroaniline
CID 43095485
2-(4-tert-butylanilino)cyclohexan-1-ol
CID 60884412
N-(2-tert-butylcyclohexyl)thiophen-3-amine
CID 66350767
N-[4-[(2-methyloxolan-3-yl)amino]phenyl]acetamide
CID 82716841
N-(2-tert-butylcyclohexyl)pyridin-3-amine
CID 43094868
N-[4-(3-cyclopentylpropanoyl)phenyl]acetamide
CID 43337935
N-(4-acetamidophenyl)-N'-cyclopentyl-2,2-dimethylpropanediamide
CID 108958674
4-acetamido-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 104927556
(2R)-N-[4-[[(1S,2S)-2-tert-butylcyclohexyl]carbamoylamino]phenyl]oxolane-2-carboxamide
CID 124839009
methyl N-[4-[(2-methoxycyclohexyl)amino]phenyl]carbamate
CID 43788003

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-tert-butylcyclohexyl)amino]phenyl]acetamide?
The IUPAC name of N-[4-[(2-tert-butylcyclohexyl)amino]phenyl]acetamide (CID 43097277) is N-[4-[(2-tert-butylcyclohexyl)amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2-tert-butylcyclohexyl)amino]phenyl]acetamide?
The canonical SMILES for N-[4-[(2-tert-butylcyclohexyl)amino]phenyl]acetamide is CC(=O)Nc1ccc(NC2CCCCC2C(C)(C)C)cc1.
What is the InChIKey of N-[4-[(2-tert-butylcyclohexyl)amino]phenyl]acetamide?
The InChIKey is UQRIKZHZUPUNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13(21)19-14-9-11-15(12-10-14)20-17-8-6-5-7-16(17)18(2,3)4/h9-12,16-17,20H,5-8H2,1-4H3,(H,19,21).
What are the key properties of N-[4-[(2-tert-butylcyclohexyl)amino]phenyl]acetamide?
N-[4-[(2-tert-butylcyclohexyl)amino]phenyl]acetamide has a molecular weight of 288.44 g/mol, XLogP of 4.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-tert-butylcyclohexyl)amino]phenyl]acetamide is sourced from PubChem (CID 43097277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).