3-amino-N,4-dimethyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide

C14H27N3O2 — CID 55116667

IUPAC3-amino-N,4-dimethyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide
SMILESCCCNC(=O)CN(C)C(=O)C1CCC(C)C(N)C1
InChIInChI=1S/C14H27N3O2/c1-4-7-16-13(18)9-17(3)14(19)11-6-5-10(2)12(15)8-11/h10-12H,4-9,15H2,1-3H3,(H,16,18)
InChIKeyAFZNFQRSTWBGBF-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.73
Rot. Bonds5

About 3-amino-N,4-dimethyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide

3-amino-N,4-dimethyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide (PubChem CID 55116667) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-amino-N,4-dimethyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N,4-dimethyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide
PubChem CID55116667
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name3-amino-N,4-dimethyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide
SMILESCCCNC(=O)CN(C)C(=O)C1CCC(C)C(N)C1
InChIInChI=1S/C14H27N3O2/c1-4-7-16-13(18)9-17(3)14(19)11-6-5-10(2)12(15)8-11/h10-12H,4-9,15H2,1-3H3,(H,16,18)
InChIKeyAFZNFQRSTWBGBF-UHFFFAOYSA-N
XLogP0.73
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-ethyl-N,4-dimethylcyclohexane-1-carboxamide
CID 62782994
4-amino-N,2-dimethyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide
CID 62781743
4-(aminomethyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide
CID 62808378
2-amino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide
CID 62776844
cis-(1S,2R)-2-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 93377032
N,4-dimethyl-N-[2-oxo-2-(propylamino)ethyl]pyrrolidine-3-carboxamide
CID 55230155
3-amino-N,N-diethyl-4-methylcyclohexane-1-carboxamide
CID 62777554
N,3-dimethyl-N-[2-oxo-2-(propylamino)ethyl]pyrrolidine-2-carboxamide
CID 102778464
N-methyl-N-[2-oxo-2-(propylamino)ethyl]piperidine-3-carboxamide
CID 54868907
N-methyl-6-oxo-N-[2-oxo-2-(propylamino)ethyl]piperidine-3-carboxamide
CID 112728459
3-amino-N,4-dimethyl-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide
CID 81074064
5-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]oxolane-2-carboxylic acid
CID 102688076

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,4-dimethyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N,4-dimethyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide (CID 55116667) is 3-amino-N,4-dimethyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N,4-dimethyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N,4-dimethyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide is CCCNC(=O)CN(C)C(=O)C1CCC(C)C(N)C1.
What is the InChIKey of 3-amino-N,4-dimethyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide?
The InChIKey is AFZNFQRSTWBGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-4-7-16-13(18)9-17(3)14(19)11-6-5-10(2)12(15)8-11/h10-12H,4-9,15H2,1-3H3,(H,16,18).
What are the key properties of 3-amino-N,4-dimethyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide?
3-amino-N,4-dimethyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide has a molecular weight of 269.39 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,4-dimethyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 55116667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).