2-amino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide

C13H25N3O2 — CID 62776844

IUPAC2-amino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide
SMILESCCCNC(=O)CN(C)C(=O)C1CCCCC1N
InChIInChI=1S/C13H25N3O2/c1-3-8-15-12(17)9-16(2)13(18)10-6-4-5-7-11(10)14/h10-11H,3-9,14H2,1-2H3,(H,15,17)
InChIKeyICFDUTBAZQSCGH-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.49
Rot. Bonds5

About 2-amino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide

2-amino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide (PubChem CID 62776844) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-amino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide
PubChem CID62776844
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-amino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide
SMILESCCCNC(=O)CN(C)C(=O)C1CCCCC1N
InChIInChI=1S/C13H25N3O2/c1-3-8-15-12(17)9-16(2)13(18)10-6-4-5-7-11(10)14/h10-11H,3-9,14H2,1-2H3,(H,15,17)
InChIKeyICFDUTBAZQSCGH-UHFFFAOYSA-N
XLogP0.49
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N,2-dimethyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide
CID 62781743
cis-(1R,2S)-2-amino-N-methyl-N-propylcycloheptane-1-carboxamide
CID 97051119
cis-(1S,2R)-2-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 93377032
3-amino-N,4-dimethyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide
CID 55116667
N,4-dimethyl-N-[2-oxo-2-(propylamino)ethyl]pyrrolidine-3-carboxamide
CID 55230155
4-(aminomethyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide
CID 62808378
N-methyl-N-[2-oxo-2-(propylamino)ethyl]piperidine-3-carboxamide
CID 54868907
3-amino-N,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 62782674
2-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]cyclopentane-1-carboxamide
CID 64825146
N-methyl-4-(methylamino)-N-[2-oxo-2-(propylamino)ethyl]oxolane-3-carboxamide
CID 66266600
5-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]oxolane-2-carboxylic acid
CID 102688076
2-amino-N-(cyclohexylmethyl)-N-methylcyclopentane-1-carboxamide
CID 64822627

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide (CID 62776844) is 2-amino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide is CCCNC(=O)CN(C)C(=O)C1CCCCC1N.
What is the InChIKey of 2-amino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide?
The InChIKey is ICFDUTBAZQSCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-3-8-15-12(17)9-16(2)13(18)10-6-4-5-7-11(10)14/h10-11H,3-9,14H2,1-2H3,(H,15,17).
What are the key properties of 2-amino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide?
2-amino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 62776844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).