N-[4-[(3-aminocyclohexyl)amino]-2-methoxyphenyl]acetamide

C15H23N3O2 — CID 79458739

IUPACN-[4-[(3-aminocyclohexyl)amino]-2-methoxyphenyl]acetamide
SMILESCOc1cc(NC2CCCC(N)C2)ccc1NC(C)=O
InChIInChI=1S/C15H23N3O2/c1-10(19)17-14-7-6-13(9-15(14)20-2)18-12-5-3-4-11(16)8-12/h6-7,9,11-12,18H,3-5,8,16H2,1-2H3,(H,17,19)
InChIKeyHWBUESMBILYQDG-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.34
Rot. Bonds4

About N-[4-[(3-aminocyclohexyl)amino]-2-methoxyphenyl]acetamide

N-[4-[(3-aminocyclohexyl)amino]-2-methoxyphenyl]acetamide (PubChem CID 79458739) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[4-[(3-aminocyclohexyl)amino]-2-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3-aminocyclohexyl)amino]-2-methoxyphenyl]acetamide
PubChem CID79458739
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[4-[(3-aminocyclohexyl)amino]-2-methoxyphenyl]acetamide
SMILESCOc1cc(NC2CCCC(N)C2)ccc1NC(C)=O
InChIInChI=1S/C15H23N3O2/c1-10(19)17-14-7-6-13(9-15(14)20-2)18-12-5-3-4-11(16)8-12/h6-7,9,11-12,18H,3-5,8,16H2,1-2H3,(H,17,19)
InChIKeyHWBUESMBILYQDG-UHFFFAOYSA-N
XLogP2.34
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(4-hydroxycyclohexyl)amino]-2-methoxyphenyl]acetamide
CID 106593678
N-(4-acetamido-3-methoxyphenyl)-3-aminocyclopentane-1-carboxamide
CID 66030500
N-[2-methoxy-4-[(1-methylpiperidin-4-yl)amino]phenyl]acetamide
CID 43672947
N-[4-[[(1R,3S)-3-cyanocyclohexyl]amino]-3-methoxyphenyl]acetamide
CID 100684548
methyl N-[3-[(3-aminocyclohexyl)amino]phenyl]carbamate
CID 79459255
N-(4-acetamido-3-methoxyphenyl)-2-aminocyclopentane-1-carboxamide
CID 64824304
N-[4-[(1-ethylpiperidin-4-yl)amino]-2-methoxyphenyl]acetamide
CID 43672950
N-[2-chloro-4-[(3-cyclopropylcyclohexyl)amino]phenyl]acetamide
CID 64596038
3-N-(4-ethoxy-3-methoxyphenyl)cyclopentane-1,3-diamine
CID 79461999
N-(4-acetamido-3-methoxyphenyl)cyclohexanecarboxamide
CID 53491142
4-[(3-aminocyclohexyl)amino]benzoic acid
CID 79459514
4-[(3-aminocyclohexyl)amino]benzamide
CID 79458720

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-aminocyclohexyl)amino]-2-methoxyphenyl]acetamide?
The IUPAC name of N-[4-[(3-aminocyclohexyl)amino]-2-methoxyphenyl]acetamide (CID 79458739) is N-[4-[(3-aminocyclohexyl)amino]-2-methoxyphenyl]acetamide.
What is the SMILES notation for N-[4-[(3-aminocyclohexyl)amino]-2-methoxyphenyl]acetamide?
The canonical SMILES for N-[4-[(3-aminocyclohexyl)amino]-2-methoxyphenyl]acetamide is COc1cc(NC2CCCC(N)C2)ccc1NC(C)=O.
What is the InChIKey of N-[4-[(3-aminocyclohexyl)amino]-2-methoxyphenyl]acetamide?
The InChIKey is HWBUESMBILYQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10(19)17-14-7-6-13(9-15(14)20-2)18-12-5-3-4-11(16)8-12/h6-7,9,11-12,18H,3-5,8,16H2,1-2H3,(H,17,19).
What are the key properties of N-[4-[(3-aminocyclohexyl)amino]-2-methoxyphenyl]acetamide?
N-[4-[(3-aminocyclohexyl)amino]-2-methoxyphenyl]acetamide has a molecular weight of 277.37 g/mol, XLogP of 2.34, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-aminocyclohexyl)amino]-2-methoxyphenyl]acetamide is sourced from PubChem (CID 79458739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).