2-(carbamoylamino)-3-methyl-N-(4-methylcyclohexyl)pentanamide

C14H27N3O2 — CID 4222340

IUPAC2-(carbamoylamino)-3-methyl-N-(4-methylcyclohexyl)pentanamide
SMILESCCC(C)C(NC(N)=O)C(=O)NC1CCC(C)CC1
InChIInChI=1S/C14H27N3O2/c1-4-10(3)12(17-14(15)19)13(18)16-11-7-5-9(2)6-8-11/h9-12H,4-8H2,1-3H3,(H,16,18)(H3,15,17,19)
InChIKeyIQOMBUVLWAISLB-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.76
Rot. Bonds5

About 2-(carbamoylamino)-3-methyl-N-(4-methylcyclohexyl)pentanamide

2-(carbamoylamino)-3-methyl-N-(4-methylcyclohexyl)pentanamide (PubChem CID 4222340) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-(carbamoylamino)-3-methyl-N-(4-methylcyclohexyl)pentanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-3-methyl-N-(4-methylcyclohexyl)pentanamide
PubChem CID4222340
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-(carbamoylamino)-3-methyl-N-(4-methylcyclohexyl)pentanamide
SMILESCCC(C)C(NC(N)=O)C(=O)NC1CCC(C)CC1
InChIInChI=1S/C14H27N3O2/c1-4-10(3)12(17-14(15)19)13(18)16-11-7-5-9(2)6-8-11/h9-12H,4-8H2,1-3H3,(H,16,18)(H3,15,17,19)
InChIKeyIQOMBUVLWAISLB-UHFFFAOYSA-N
XLogP1.76
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-3-methyl-N-(4-methylcyclohexyl)pentanamide?
The IUPAC name of 2-(carbamoylamino)-3-methyl-N-(4-methylcyclohexyl)pentanamide (CID 4222340) is 2-(carbamoylamino)-3-methyl-N-(4-methylcyclohexyl)pentanamide.
What is the SMILES notation for 2-(carbamoylamino)-3-methyl-N-(4-methylcyclohexyl)pentanamide?
The canonical SMILES for 2-(carbamoylamino)-3-methyl-N-(4-methylcyclohexyl)pentanamide is CCC(C)C(NC(N)=O)C(=O)NC1CCC(C)CC1.
What is the InChIKey of 2-(carbamoylamino)-3-methyl-N-(4-methylcyclohexyl)pentanamide?
The InChIKey is IQOMBUVLWAISLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-4-10(3)12(17-14(15)19)13(18)16-11-7-5-9(2)6-8-11/h9-12H,4-8H2,1-3H3,(H,16,18)(H3,15,17,19).
What are the key properties of 2-(carbamoylamino)-3-methyl-N-(4-methylcyclohexyl)pentanamide?
2-(carbamoylamino)-3-methyl-N-(4-methylcyclohexyl)pentanamide has a molecular weight of 269.39 g/mol, XLogP of 1.76, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-3-methyl-N-(4-methylcyclohexyl)pentanamide is sourced from PubChem (CID 4222340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).