2-acetamido-3-(cyclohexylmethylamino)-N-methylbutanamide

C14H27N3O2 — CID 174328851

IUPAC2-acetamido-3-(cyclohexylmethylamino)-N-methylbutanamide
SMILESCNC(=O)C(NC(C)=O)C(C)NCC1CCCCC1
InChIInChI=1S/C14H27N3O2/c1-10(13(14(19)15-3)17-11(2)18)16-9-12-7-5-4-6-8-12/h10,12-13,16H,4-9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeySPQFYYICUUITHY-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.80
Rot. Bonds6

About 2-acetamido-3-(cyclohexylmethylamino)-N-methylbutanamide

2-acetamido-3-(cyclohexylmethylamino)-N-methylbutanamide (PubChem CID 174328851) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-acetamido-3-(cyclohexylmethylamino)-N-methylbutanamide.

Molecular Properties

Compound Name2-acetamido-3-(cyclohexylmethylamino)-N-methylbutanamide
PubChem CID174328851
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-acetamido-3-(cyclohexylmethylamino)-N-methylbutanamide
SMILESCNC(=O)C(NC(C)=O)C(C)NCC1CCCCC1
InChIInChI=1S/C14H27N3O2/c1-10(13(14(19)15-3)17-11(2)18)16-9-12-7-5-4-6-8-12/h10,12-13,16H,4-9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeySPQFYYICUUITHY-UHFFFAOYSA-N
XLogP0.80
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(cyclohexylmethylamino)-N-methylbutanamide?
The IUPAC name of 2-acetamido-3-(cyclohexylmethylamino)-N-methylbutanamide (CID 174328851) is 2-acetamido-3-(cyclohexylmethylamino)-N-methylbutanamide.
What is the SMILES notation for 2-acetamido-3-(cyclohexylmethylamino)-N-methylbutanamide?
The canonical SMILES for 2-acetamido-3-(cyclohexylmethylamino)-N-methylbutanamide is CNC(=O)C(NC(C)=O)C(C)NCC1CCCCC1.
What is the InChIKey of 2-acetamido-3-(cyclohexylmethylamino)-N-methylbutanamide?
The InChIKey is SPQFYYICUUITHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-10(13(14(19)15-3)17-11(2)18)16-9-12-7-5-4-6-8-12/h10,12-13,16H,4-9H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 2-acetamido-3-(cyclohexylmethylamino)-N-methylbutanamide?
2-acetamido-3-(cyclohexylmethylamino)-N-methylbutanamide has a molecular weight of 269.39 g/mol, XLogP of 0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(cyclohexylmethylamino)-N-methylbutanamide is sourced from PubChem (CID 174328851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).