4-(cyclohexylcarbamoylamino)-N-(2-hydroxyethyl)butanamide

C13H25N3O3 — CID 78841901

IUPAC4-(cyclohexylcarbamoylamino)-N-(2-hydroxyethyl)butanamide
SMILESO=C(CCCNC(=O)NC1CCCCC1)NCCO
InChIInChI=1S/C13H25N3O3/c17-10-9-14-12(18)7-4-8-15-13(19)16-11-5-2-1-3-6-11/h11,17H,1-10H2,(H,14,18)(H2,15,16,19)
InChIKeyVXFAQTZQNKIGAM-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.51
Rot. Bonds7

About 4-(cyclohexylcarbamoylamino)-N-(2-hydroxyethyl)butanamide

4-(cyclohexylcarbamoylamino)-N-(2-hydroxyethyl)butanamide (PubChem CID 78841901) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-(cyclohexylcarbamoylamino)-N-(2-hydroxyethyl)butanamide.

Molecular Properties

Compound Name4-(cyclohexylcarbamoylamino)-N-(2-hydroxyethyl)butanamide
PubChem CID78841901
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name4-(cyclohexylcarbamoylamino)-N-(2-hydroxyethyl)butanamide
SMILESO=C(CCCNC(=O)NC1CCCCC1)NCCO
InChIInChI=1S/C13H25N3O3/c17-10-9-14-12(18)7-4-8-15-13(19)16-11-5-2-1-3-6-11/h11,17H,1-10H2,(H,14,18)(H2,15,16,19)
InChIKeyVXFAQTZQNKIGAM-UHFFFAOYSA-N
XLogP0.51
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylcarbamoylamino)-N-(2-hydroxyethyl)butanamide?
The IUPAC name of 4-(cyclohexylcarbamoylamino)-N-(2-hydroxyethyl)butanamide (CID 78841901) is 4-(cyclohexylcarbamoylamino)-N-(2-hydroxyethyl)butanamide.
What is the SMILES notation for 4-(cyclohexylcarbamoylamino)-N-(2-hydroxyethyl)butanamide?
The canonical SMILES for 4-(cyclohexylcarbamoylamino)-N-(2-hydroxyethyl)butanamide is O=C(CCCNC(=O)NC1CCCCC1)NCCO.
What is the InChIKey of 4-(cyclohexylcarbamoylamino)-N-(2-hydroxyethyl)butanamide?
The InChIKey is VXFAQTZQNKIGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c17-10-9-14-12(18)7-4-8-15-13(19)16-11-5-2-1-3-6-11/h11,17H,1-10H2,(H,14,18)(H2,15,16,19).
What are the key properties of 4-(cyclohexylcarbamoylamino)-N-(2-hydroxyethyl)butanamide?
4-(cyclohexylcarbamoylamino)-N-(2-hydroxyethyl)butanamide has a molecular weight of 271.36 g/mol, XLogP of 0.51, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylcarbamoylamino)-N-(2-hydroxyethyl)butanamide is sourced from PubChem (CID 78841901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).