3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propylcyclohexane-1-carboxamide

C14H27N3O2 — CID 62776151

IUPAC3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propylcyclohexane-1-carboxamide
SMILESCCCN(CC(=O)N(C)C)C(=O)C1CCCC(N)C1
InChIInChI=1S/C14H27N3O2/c1-4-8-17(10-13(18)16(2)3)14(19)11-6-5-7-12(15)9-11/h11-12H,4-10,15H2,1-3H3
InChIKeyMHJBPUCBUYJTJG-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.83
Rot. Bonds5

About 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propylcyclohexane-1-carboxamide

3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propylcyclohexane-1-carboxamide (PubChem CID 62776151) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propylcyclohexane-1-carboxamide
PubChem CID62776151
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propylcyclohexane-1-carboxamide
SMILESCCCN(CC(=O)N(C)C)C(=O)C1CCCC(N)C1
InChIInChI=1S/C14H27N3O2/c1-4-8-17(10-13(18)16(2)3)14(19)11-6-5-7-12(15)9-11/h11-12H,4-10,15H2,1-3H3
InChIKeyMHJBPUCBUYJTJG-UHFFFAOYSA-N
XLogP0.83
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propylcyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propylcyclohexane-1-carboxamide (CID 62776151) is 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propylcyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propylcyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propylcyclohexane-1-carboxamide is CCCN(CC(=O)N(C)C)C(=O)C1CCCC(N)C1.
What is the InChIKey of 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propylcyclohexane-1-carboxamide?
The InChIKey is MHJBPUCBUYJTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-4-8-17(10-13(18)16(2)3)14(19)11-6-5-7-12(15)9-11/h11-12H,4-10,15H2,1-3H3.
What are the key properties of 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propylcyclohexane-1-carboxamide?
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propylcyclohexane-1-carboxamide has a molecular weight of 269.39 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propylcyclohexane-1-carboxamide is sourced from PubChem (CID 62776151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).