3-[(4-methoxycyclohexyl)amino]-2,2-dimethylpropanamide

C12H24N2O2 — CID 104530552

IUPAC3-[(4-methoxycyclohexyl)amino]-2,2-dimethylpropanamide
SMILESCOC1CCC(NCC(C)(C)C(N)=O)CC1
InChIInChI=1S/C12H24N2O2/c1-12(2,11(13)15)8-14-9-4-6-10(16-3)7-5-9/h9-10,14H,4-8H2,1-3H3,(H2,13,15)
InChIKeyYZXSJCCDNNTVKY-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.05
Rot. Bonds5

About 3-[(4-methoxycyclohexyl)amino]-2,2-dimethylpropanamide

3-[(4-methoxycyclohexyl)amino]-2,2-dimethylpropanamide (PubChem CID 104530552) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-[(4-methoxycyclohexyl)amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(4-methoxycyclohexyl)amino]-2,2-dimethylpropanamide
PubChem CID104530552
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-[(4-methoxycyclohexyl)amino]-2,2-dimethylpropanamide
SMILESCOC1CCC(NCC(C)(C)C(N)=O)CC1
InChIInChI=1S/C12H24N2O2/c1-12(2,11(13)15)8-14-9-4-6-10(16-3)7-5-9/h9-10,14H,4-8H2,1-3H3,(H2,13,15)
InChIKeyYZXSJCCDNNTVKY-UHFFFAOYSA-N
XLogP1.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopentylamino)-2,2-dimethylpropanamide
CID 103617377
4-methoxy-N-(2-methoxy-2-methylpropyl)cyclohexan-1-amine
CID 104530318
3-[(2-methoxycyclohexyl)amino]-2,2-dimethylpropanamide
CID 106274861
2,2-dimethyl-3-[(4-phenylcyclohexyl)amino]propanamide
CID 103617386
tert-butyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]azetidine-1-carboxylate
CID 67392129
3-[(3-aminocyclohexyl)amino]-2,2-dimethylpropanamide
CID 106274757
2,2-dimethyl-3-(oxan-3-ylamino)propanamide
CID 115978805
methyl 2,2-dimethyl-3-[(4-propylcyclohexyl)amino]propanoate
CID 79624157
2,2-dimethyl-3-[[3-(2-methylpropyl)cyclohexyl]amino]propanamide
CID 114078633
tert-butyl N-[(E)-4-[(4-methoxycyclohexyl)amino]but-2-enyl]carbamate
CID 99799409
N-[2-[(4-methoxycyclohexyl)amino]ethyl]cyclopropanecarboxamide
CID 113422916
methyl 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-cyclopropylacetate
CID 106278452

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxycyclohexyl)amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[(4-methoxycyclohexyl)amino]-2,2-dimethylpropanamide (CID 104530552) is 3-[(4-methoxycyclohexyl)amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[(4-methoxycyclohexyl)amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[(4-methoxycyclohexyl)amino]-2,2-dimethylpropanamide is COC1CCC(NCC(C)(C)C(N)=O)CC1.
What is the InChIKey of 3-[(4-methoxycyclohexyl)amino]-2,2-dimethylpropanamide?
The InChIKey is YZXSJCCDNNTVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-12(2,11(13)15)8-14-9-4-6-10(16-3)7-5-9/h9-10,14H,4-8H2,1-3H3,(H2,13,15).
What are the key properties of 3-[(4-methoxycyclohexyl)amino]-2,2-dimethylpropanamide?
3-[(4-methoxycyclohexyl)amino]-2,2-dimethylpropanamide has a molecular weight of 228.34 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxycyclohexyl)amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 104530552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).