2-(carbamoylamino)-N-cyclohexyl-3-methylbutanamide

C12H23N3O2 — CID 3993867

IUPAC2-(carbamoylamino)-N-cyclohexyl-3-methylbutanamide
SMILESCC(C)C(NC(N)=O)C(=O)NC1CCCCC1
InChIInChI=1S/C12H23N3O2/c1-8(2)10(15-12(13)17)11(16)14-9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3,(H,14,16)(H3,13,15,17)
InChIKeyLSZBBTJKJMVCNS-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.13
Rot. Bonds4

About 2-(carbamoylamino)-N-cyclohexyl-3-methylbutanamide

2-(carbamoylamino)-N-cyclohexyl-3-methylbutanamide (PubChem CID 3993867) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-cyclohexyl-3-methylbutanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-cyclohexyl-3-methylbutanamide
PubChem CID3993867
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name2-(carbamoylamino)-N-cyclohexyl-3-methylbutanamide
SMILESCC(C)C(NC(N)=O)C(=O)NC1CCCCC1
InChIInChI=1S/C12H23N3O2/c1-8(2)10(15-12(13)17)11(16)14-9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3,(H,14,16)(H3,13,15,17)
InChIKeyLSZBBTJKJMVCNS-UHFFFAOYSA-N
XLogP1.13
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-cyclohexyl-3-methylbutanamide?
The IUPAC name of 2-(carbamoylamino)-N-cyclohexyl-3-methylbutanamide (CID 3993867) is 2-(carbamoylamino)-N-cyclohexyl-3-methylbutanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-cyclohexyl-3-methylbutanamide?
The canonical SMILES for 2-(carbamoylamino)-N-cyclohexyl-3-methylbutanamide is CC(C)C(NC(N)=O)C(=O)NC1CCCCC1.
What is the InChIKey of 2-(carbamoylamino)-N-cyclohexyl-3-methylbutanamide?
The InChIKey is LSZBBTJKJMVCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-8(2)10(15-12(13)17)11(16)14-9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3,(H,14,16)(H3,13,15,17).
What are the key properties of 2-(carbamoylamino)-N-cyclohexyl-3-methylbutanamide?
2-(carbamoylamino)-N-cyclohexyl-3-methylbutanamide has a molecular weight of 241.33 g/mol, XLogP of 1.13, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-cyclohexyl-3-methylbutanamide is sourced from PubChem (CID 3993867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).