N-[[butyl(ethyl)carbamoyl]carbamoyl]-2-ethylbutanamide

C14H27N3O3 — CID 134915206

IUPACN-[[butyl(ethyl)carbamoyl]carbamoyl]-2-ethylbutanamide
SMILESCCCCN(CC)C(=O)NC(=O)NC(=O)C(CC)CC
InChIInChI=1S/C14H27N3O3/c1-5-9-10-17(8-4)14(20)16-13(19)15-12(18)11(6-2)7-3/h11H,5-10H2,1-4H3,(H2,15,16,18,19,20)
InChIKeyVDHXBDQVNCVRBW-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.49
Rot. Bonds7

About N-[[butyl(ethyl)carbamoyl]carbamoyl]-2-ethylbutanamide

N-[[butyl(ethyl)carbamoyl]carbamoyl]-2-ethylbutanamide (PubChem CID 134915206) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[[butyl(ethyl)carbamoyl]carbamoyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[[butyl(ethyl)carbamoyl]carbamoyl]-2-ethylbutanamide
PubChem CID134915206
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC NameN-[[butyl(ethyl)carbamoyl]carbamoyl]-2-ethylbutanamide
SMILESCCCCN(CC)C(=O)NC(=O)NC(=O)C(CC)CC
InChIInChI=1S/C14H27N3O3/c1-5-9-10-17(8-4)14(20)16-13(19)15-12(18)11(6-2)7-3/h11H,5-10H2,1-4H3,(H2,15,16,18,19,20)
InChIKeyVDHXBDQVNCVRBW-UHFFFAOYSA-N
XLogP2.49
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[butyl(ethyl)carbamoyl]carbamoyl]-2-ethylbutanamide?
The IUPAC name of N-[[butyl(ethyl)carbamoyl]carbamoyl]-2-ethylbutanamide (CID 134915206) is N-[[butyl(ethyl)carbamoyl]carbamoyl]-2-ethylbutanamide.
What is the SMILES notation for N-[[butyl(ethyl)carbamoyl]carbamoyl]-2-ethylbutanamide?
The canonical SMILES for N-[[butyl(ethyl)carbamoyl]carbamoyl]-2-ethylbutanamide is CCCCN(CC)C(=O)NC(=O)NC(=O)C(CC)CC.
What is the InChIKey of N-[[butyl(ethyl)carbamoyl]carbamoyl]-2-ethylbutanamide?
The InChIKey is VDHXBDQVNCVRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-5-9-10-17(8-4)14(20)16-13(19)15-12(18)11(6-2)7-3/h11H,5-10H2,1-4H3,(H2,15,16,18,19,20).
What are the key properties of N-[[butyl(ethyl)carbamoyl]carbamoyl]-2-ethylbutanamide?
N-[[butyl(ethyl)carbamoyl]carbamoyl]-2-ethylbutanamide has a molecular weight of 285.39 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[butyl(ethyl)carbamoyl]carbamoyl]-2-ethylbutanamide is sourced from PubChem (CID 134915206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).