3-amino-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-5-methylcyclohexane-1-carboxamide

C13H25N3O2 — CID 114134969

IUPAC3-amino-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-5-methylcyclohexane-1-carboxamide
SMILESCCN(C)C(=O)CNC(=O)C1CC(C)CC(N)C1
InChIInChI=1S/C13H25N3O2/c1-4-16(3)12(17)8-15-13(18)10-5-9(2)6-11(14)7-10/h9-11H,4-8,14H2,1-3H3,(H,15,18)
InChIKeyMTIWUQLCXGJWFC-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.34
Rot. Bonds4

About 3-amino-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-5-methylcyclohexane-1-carboxamide

3-amino-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-5-methylcyclohexane-1-carboxamide (PubChem CID 114134969) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-amino-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-5-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-5-methylcyclohexane-1-carboxamide
PubChem CID114134969
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name3-amino-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-5-methylcyclohexane-1-carboxamide
SMILESCCN(C)C(=O)CNC(=O)C1CC(C)CC(N)C1
InChIInChI=1S/C13H25N3O2/c1-4-16(3)12(17)8-15-13(18)10-5-9(2)6-11(14)7-10/h9-11H,4-8,14H2,1-3H3,(H,15,18)
InChIKeyMTIWUQLCXGJWFC-UHFFFAOYSA-N
XLogP0.34
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[3-(dimethylamino)-3-oxopropyl]-5-methylcyclohexane-1-carboxamide
CID 113396372
3-amino-5-methyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide
CID 113396384
3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-5-methylcyclohexane-1-carboxamide
CID 106241360
N-(2-amino-2-methylpropyl)-3-methylcyclobutane-1-carboxamide
CID 130652190
2-[[2-(diethylamino)-2-oxoethyl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114391307
N-(2-hydroxyethyl)-3-methylcyclobutane-1-carboxamide
CID 131134003
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-methylcyclohexane-1-carboxamide
CID 62782833
ethyl 4-(3-amino-5-methylcyclohexanecarbonyl)piperazine-1-carboxylate
CID 107877740
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-5-methylcyclohexane-1-carboxamide
CID 65454343
N-[2,2-dimethyl-3-[(3-methylcyclobutanecarbonyl)amino]propyl]-3-methylcyclobutane-1-carboxamide
CID 84586419
3-amino-N-[2-(ethylamino)-2-oxoethyl]cyclopentane-1-carboxamide
CID 66032086
N-[2-(diethylamino)-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
CID 47027648

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-5-methylcyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-5-methylcyclohexane-1-carboxamide (CID 114134969) is 3-amino-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-5-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-5-methylcyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-5-methylcyclohexane-1-carboxamide is CCN(C)C(=O)CNC(=O)C1CC(C)CC(N)C1.
What is the InChIKey of 3-amino-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-5-methylcyclohexane-1-carboxamide?
The InChIKey is MTIWUQLCXGJWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-4-16(3)12(17)8-15-13(18)10-5-9(2)6-11(14)7-10/h9-11H,4-8,14H2,1-3H3,(H,15,18).
What are the key properties of 3-amino-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-5-methylcyclohexane-1-carboxamide?
3-amino-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-5-methylcyclohexane-1-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-5-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 114134969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).