3-methoxy-N,3-dimethyl-N-[4-(propylamino)cyclohexyl]butanamide

C16H32N2O2 — CID 103017156

IUPAC3-methoxy-N,3-dimethyl-N-[4-(propylamino)cyclohexyl]butanamide
SMILESCCCNC1CCC(N(C)C(=O)CC(C)(C)OC)CC1
InChIInChI=1S/C16H32N2O2/c1-6-11-17-13-7-9-14(10-8-13)18(4)15(19)12-16(2,3)20-5/h13-14,17H,6-12H2,1-5H3
InChIKeyJBTAOCBCLIMBBS-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.57
Rot. Bonds7

About 3-methoxy-N,3-dimethyl-N-[4-(propylamino)cyclohexyl]butanamide

3-methoxy-N,3-dimethyl-N-[4-(propylamino)cyclohexyl]butanamide (PubChem CID 103017156) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 3-methoxy-N,3-dimethyl-N-[4-(propylamino)cyclohexyl]butanamide.

Molecular Properties

Compound Name3-methoxy-N,3-dimethyl-N-[4-(propylamino)cyclohexyl]butanamide
PubChem CID103017156
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name3-methoxy-N,3-dimethyl-N-[4-(propylamino)cyclohexyl]butanamide
SMILESCCCNC1CCC(N(C)C(=O)CC(C)(C)OC)CC1
InChIInChI=1S/C16H32N2O2/c1-6-11-17-13-7-9-14(10-8-13)18(4)15(19)12-16(2,3)20-5/h13-14,17H,6-12H2,1-5H3
InChIKeyJBTAOCBCLIMBBS-UHFFFAOYSA-N
XLogP2.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[4-(propylamino)cyclohexyl]propanamide
CID 79122945
N-methyl-N-[4-(propylamino)cyclohexyl]pentanamide
CID 79122715
1,1,3-trimethyl-3-[4-(propylamino)cyclohexyl]urea
CID 79153266
3-butyl-1-methyl-1-[4-(propylamino)cyclohexyl]urea
CID 79122872
1-methyl-3-propan-2-yl-1-[4-(propylamino)cyclohexyl]urea
CID 79122790
N,3,3-trimethyl-N-[4-(methylamino)cyclohexyl]butanamide
CID 79122316
2-cyclopropyl-N-methyl-N-[4-(propylamino)cyclohexyl]propanamide
CID 83146539
3-methoxy-N,3-dimethyl-N-piperidin-3-ylbutanamide
CID 103019546
N-[3-(cyclopropylamino)propyl]-3-methoxy-3-methylbutanamide
CID 103021358
4-N-cyclopropyl-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 114762819
1-[4-(ethylamino)cyclohexyl]-1-methyl-3-propylurea
CID 79123170
2-[methyl-[4-(propylamino)cyclohexyl]amino]acetamide
CID 79122346

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N,3-dimethyl-N-[4-(propylamino)cyclohexyl]butanamide?
The IUPAC name of 3-methoxy-N,3-dimethyl-N-[4-(propylamino)cyclohexyl]butanamide (CID 103017156) is 3-methoxy-N,3-dimethyl-N-[4-(propylamino)cyclohexyl]butanamide.
What is the SMILES notation for 3-methoxy-N,3-dimethyl-N-[4-(propylamino)cyclohexyl]butanamide?
The canonical SMILES for 3-methoxy-N,3-dimethyl-N-[4-(propylamino)cyclohexyl]butanamide is CCCNC1CCC(N(C)C(=O)CC(C)(C)OC)CC1.
What is the InChIKey of 3-methoxy-N,3-dimethyl-N-[4-(propylamino)cyclohexyl]butanamide?
The InChIKey is JBTAOCBCLIMBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-6-11-17-13-7-9-14(10-8-13)18(4)15(19)12-16(2,3)20-5/h13-14,17H,6-12H2,1-5H3.
What are the key properties of 3-methoxy-N,3-dimethyl-N-[4-(propylamino)cyclohexyl]butanamide?
3-methoxy-N,3-dimethyl-N-[4-(propylamino)cyclohexyl]butanamide has a molecular weight of 284.44 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N,3-dimethyl-N-[4-(propylamino)cyclohexyl]butanamide is sourced from PubChem (CID 103017156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).