4-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-methylcyclohexane-1-carboxamide

C14H27N3O2 — CID 103113502

IUPAC4-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-methylcyclohexane-1-carboxamide
SMILESCCN(C)C(=O)C(C)NC(=O)C1CCC(N)C(C)C1
InChIInChI=1S/C14H27N3O2/c1-5-17(4)14(19)10(3)16-13(18)11-6-7-12(15)9(2)8-11/h9-12H,5-8,15H2,1-4H3,(H,16,18)
InChIKeyFNJQCIHCLJAPFW-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.73
Rot. Bonds4

About 4-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-methylcyclohexane-1-carboxamide

4-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-methylcyclohexane-1-carboxamide (PubChem CID 103113502) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-methylcyclohexane-1-carboxamide
PubChem CID103113502
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name4-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-methylcyclohexane-1-carboxamide
SMILESCCN(C)C(=O)C(C)NC(=O)C1CCC(N)C(C)C1
InChIInChI=1S/C14H27N3O2/c1-5-17(4)14(19)10(3)16-13(18)11-6-7-12(15)9(2)8-11/h9-12H,5-8,15H2,1-4H3,(H,16,18)
InChIKeyFNJQCIHCLJAPFW-UHFFFAOYSA-N
XLogP0.73
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]cyclopentane-1-carboxamide
CID 103109051
4-amino-N-[4-(dimethylamino)butan-2-yl]-3-methylcyclohexane-1-carboxamide
CID 55115402
4-amino-3-methyl-N-propan-2-ylcyclohexane-1-carboxamide
CID 62777735
4-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-3-methylcyclohexane-1-carboxamide
CID 62782597
4-amino-N-[2-(dimethylamino)propyl]-3-methylcyclohexane-1-carboxamide
CID 62782736
4-amino-N-(3-ethylpentan-2-yl)-3-methylcyclohexane-1-carboxamide
CID 63840862
4-amino-3-methyl-N-(2-methylpentan-3-yl)cyclohexane-1-carboxamide
CID 62783259
N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-6-methylpiperidine-3-carboxamide
CID 103110648
3-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103550244
N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]azetidine-3-carboxamide
CID 103109047
4-amino-N-(1-cyclohexylethyl)-3-methylcyclohexane-1-carboxamide
CID 55116861
2-[(N'-cyclopropylcarbamimidoyl)amino]-N-ethyl-N-methylpropanamide
CID 103111147

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-methylcyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-methylcyclohexane-1-carboxamide (CID 103113502) is 4-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-methylcyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-methylcyclohexane-1-carboxamide is CCN(C)C(=O)C(C)NC(=O)C1CCC(N)C(C)C1.
What is the InChIKey of 4-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-methylcyclohexane-1-carboxamide?
The InChIKey is FNJQCIHCLJAPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-5-17(4)14(19)10(3)16-13(18)11-6-7-12(15)9(2)8-11/h9-12H,5-8,15H2,1-4H3,(H,16,18).
What are the key properties of 4-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-methylcyclohexane-1-carboxamide?
4-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-methylcyclohexane-1-carboxamide has a molecular weight of 269.39 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 103113502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).