4-(3-methoxybutan-2-ylamino)cyclohexane-1-carboxamide

C12H24N2O2 — CID 115889950

IUPAC4-(3-methoxybutan-2-ylamino)cyclohexane-1-carboxamide
SMILESCOC(C)C(C)NC1CCC(C(N)=O)CC1
InChIInChI=1S/C12H24N2O2/c1-8(9(2)16-3)14-11-6-4-10(5-7-11)12(13)15/h8-11,14H,4-7H2,1-3H3,(H2,13,15)
InChIKeyCXNGWPVYZSCXPX-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.04
Rot. Bonds5

About 4-(3-methoxybutan-2-ylamino)cyclohexane-1-carboxamide

4-(3-methoxybutan-2-ylamino)cyclohexane-1-carboxamide (PubChem CID 115889950) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-(3-methoxybutan-2-ylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(3-methoxybutan-2-ylamino)cyclohexane-1-carboxamide
PubChem CID115889950
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name4-(3-methoxybutan-2-ylamino)cyclohexane-1-carboxamide
SMILESCOC(C)C(C)NC1CCC(C(N)=O)CC1
InChIInChI=1S/C12H24N2O2/c1-8(9(2)16-3)14-11-6-4-10(5-7-11)12(13)15/h8-11,14H,4-7H2,1-3H3,(H2,13,15)
InChIKeyCXNGWPVYZSCXPX-UHFFFAOYSA-N
XLogP1.04
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 ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-[4-(3-methoxybutan-2-ylamino)piperidin-1-yl]methanone
CID 115709034
N-(3-methoxybutan-2-yl)cyclobutanamine
CID 115889558
N-[(2R)-3-methoxybutan-2-yl]cyclobutanamine
CID 131222697
4-(1-cyclopentylethylamino)cyclohexane-1-carboxamide
CID 62631571
4-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]cyclohexane-1-carboxamide
CID 54914283
N-(3-methoxybutan-2-yl)-4-methylcycloheptan-1-amine
CID 102795157
4-(hexan-2-ylamino)cyclohexane-1-carboxamide
CID 43791674
N-(3-methoxybutan-2-yl)-3,4-dimethylcyclohexan-1-amine
CID 104584846
methyl 5-[1-[(4-carbamoylcyclohexyl)amino]ethyl]furan-2-carboxylate
CID 103242653
4-[hydroxy(methoxy)methyl]cyclohexane-1-carboxamide
CID 91077724
N-(3-methoxybutan-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 113481634
4-(6,6,6-trifluorohexan-2-ylamino)cyclohexane-1-carboxamide
CID 116534518

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxybutan-2-ylamino)cyclohexane-1-carboxamide?
The IUPAC name of 4-(3-methoxybutan-2-ylamino)cyclohexane-1-carboxamide (CID 115889950) is 4-(3-methoxybutan-2-ylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(3-methoxybutan-2-ylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(3-methoxybutan-2-ylamino)cyclohexane-1-carboxamide is COC(C)C(C)NC1CCC(C(N)=O)CC1.
What is the InChIKey of 4-(3-methoxybutan-2-ylamino)cyclohexane-1-carboxamide?
The InChIKey is CXNGWPVYZSCXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-8(9(2)16-3)14-11-6-4-10(5-7-11)12(13)15/h8-11,14H,4-7H2,1-3H3,(H2,13,15).
What are the key properties of 4-(3-methoxybutan-2-ylamino)cyclohexane-1-carboxamide?
4-(3-methoxybutan-2-ylamino)cyclohexane-1-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxybutan-2-ylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 115889950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).