N-[4-(4-methoxy-3-propan-2-yloxyanilino)cyclohexyl]acetamide

C18H28N2O3 — CID 99635767

IUPACN-[4-(4-methoxy-3-propan-2-yloxyanilino)cyclohexyl]acetamide
SMILESCOc1ccc(NC2CCC(NC(C)=O)CC2)cc1OC(C)C
InChIInChI=1S/C18H28N2O3/c1-12(2)23-18-11-16(9-10-17(18)22-4)20-15-7-5-14(6-8-15)19-13(3)21/h9-12,14-15,20H,5-8H2,1-4H3,(H,19,21)
InChIKeyCXZKFJQOAJSFHA-UHFFFAOYSA-N
MW320.43 g/mol
LogP3.34
Rot. Bonds6

About N-[4-(4-methoxy-3-propan-2-yloxyanilino)cyclohexyl]acetamide

N-[4-(4-methoxy-3-propan-2-yloxyanilino)cyclohexyl]acetamide (PubChem CID 99635767) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-[4-(4-methoxy-3-propan-2-yloxyanilino)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-methoxy-3-propan-2-yloxyanilino)cyclohexyl]acetamide
PubChem CID99635767
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-[4-(4-methoxy-3-propan-2-yloxyanilino)cyclohexyl]acetamide
SMILESCOc1ccc(NC2CCC(NC(C)=O)CC2)cc1OC(C)C
InChIInChI=1S/C18H28N2O3/c1-12(2)23-18-11-16(9-10-17(18)22-4)20-15-7-5-14(6-8-15)19-13(3)21/h9-12,14-15,20H,5-8H2,1-4H3,(H,19,21)
InChIKeyCXZKFJQOAJSFHA-UHFFFAOYSA-N
XLogP3.34
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dimethoxyphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 65087618
4-(3,4-dimethoxyanilino)cyclohexan-1-ol
CID 82539356
N-[4-[(4-hydroxycyclohexyl)amino]-2-methoxyphenyl]acetamide
CID 106593678
4-bromo-3-methoxy-N-(4-propan-2-ylcyclohexyl)aniline
CID 82858349
N-[4-[(6-acetylnaphthalen-2-yl)amino]cyclohexyl]acetamide
CID 118980727
N-(cyclopropylcarbamoyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide
CID 24652338
N-[2-methoxy-4-[(1-methylpiperidin-4-yl)amino]phenyl]acetamide
CID 43672947
3-(3-methoxy-4-propan-2-yloxyphenyl)-N-(4-methylcyclohexyl)prop-2-enamide
CID 74514644
N-(4-methoxy-3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 65091463
N-[3-(cyclopropylcarbamoylamino)-4-methoxyphenyl]acetamide
CID 47127639
4-(3-ethoxy-4-methoxyanilino)cyclohexan-1-ol
CID 106594039
1-cyclohexyl-3-[3-(difluoromethoxy)-4-methoxyphenyl]urea
CID 134039305

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxy-3-propan-2-yloxyanilino)cyclohexyl]acetamide?
The IUPAC name of N-[4-(4-methoxy-3-propan-2-yloxyanilino)cyclohexyl]acetamide (CID 99635767) is N-[4-(4-methoxy-3-propan-2-yloxyanilino)cyclohexyl]acetamide.
What is the SMILES notation for N-[4-(4-methoxy-3-propan-2-yloxyanilino)cyclohexyl]acetamide?
The canonical SMILES for N-[4-(4-methoxy-3-propan-2-yloxyanilino)cyclohexyl]acetamide is COc1ccc(NC2CCC(NC(C)=O)CC2)cc1OC(C)C.
What is the InChIKey of N-[4-(4-methoxy-3-propan-2-yloxyanilino)cyclohexyl]acetamide?
The InChIKey is CXZKFJQOAJSFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-12(2)23-18-11-16(9-10-17(18)22-4)20-15-7-5-14(6-8-15)19-13(3)21/h9-12,14-15,20H,5-8H2,1-4H3,(H,19,21).
What are the key properties of N-[4-(4-methoxy-3-propan-2-yloxyanilino)cyclohexyl]acetamide?
N-[4-(4-methoxy-3-propan-2-yloxyanilino)cyclohexyl]acetamide has a molecular weight of 320.43 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxy-3-propan-2-yloxyanilino)cyclohexyl]acetamide is sourced from PubChem (CID 99635767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).