N-[cyclopropylmethyl-[cyclopropylmethyl(oxiran-2-ylmethyl)carbamoyl]carbamoyl]formamide

C14H21N3O4 — CID 134476675

IUPACN-[cyclopropylmethyl-[cyclopropylmethyl(oxiran-2-ylmethyl)carbamoyl]carbamoyl]formamide
SMILESO=CNC(=O)N(CC1CC1)C(=O)N(CC1CC1)CC1CO1
InChIInChI=1S/C14H21N3O4/c18-9-15-13(19)17(6-11-3-4-11)14(20)16(5-10-1-2-10)7-12-8-21-12/h9-12H,1-8H2,(H,15,18,19)
InChIKeyHUVSPHPVYPNOPV-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.80
Rot. Bonds7

About N-[cyclopropylmethyl-[cyclopropylmethyl(oxiran-2-ylmethyl)carbamoyl]carbamoyl]formamide

N-[cyclopropylmethyl-[cyclopropylmethyl(oxiran-2-ylmethyl)carbamoyl]carbamoyl]formamide (PubChem CID 134476675) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[cyclopropylmethyl-[cyclopropylmethyl(oxiran-2-ylmethyl)carbamoyl]carbamoyl]formamide.

Molecular Properties

Compound NameN-[cyclopropylmethyl-[cyclopropylmethyl(oxiran-2-ylmethyl)carbamoyl]carbamoyl]formamide
PubChem CID134476675
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC NameN-[cyclopropylmethyl-[cyclopropylmethyl(oxiran-2-ylmethyl)carbamoyl]carbamoyl]formamide
SMILESO=CNC(=O)N(CC1CC1)C(=O)N(CC1CC1)CC1CO1
InChIInChI=1S/C14H21N3O4/c18-9-15-13(19)17(6-11-3-4-11)14(20)16(5-10-1-2-10)7-12-8-21-12/h9-12H,1-8H2,(H,15,18,19)
InChIKeyHUVSPHPVYPNOPV-UHFFFAOYSA-N
XLogP0.80
TPSA82.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze N-[cyclopropylmethyl-[cyclopropylmethyl(oxiran-2-ylmethyl)carbamoyl]carbamoyl]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropylmethyl-[cyclopropylmethyl(oxiran-2-ylmethyl)carbamoyl]carbamoyl]formamide?
The IUPAC name of N-[cyclopropylmethyl-[cyclopropylmethyl(oxiran-2-ylmethyl)carbamoyl]carbamoyl]formamide (CID 134476675) is N-[cyclopropylmethyl-[cyclopropylmethyl(oxiran-2-ylmethyl)carbamoyl]carbamoyl]formamide.
What is the SMILES notation for N-[cyclopropylmethyl-[cyclopropylmethyl(oxiran-2-ylmethyl)carbamoyl]carbamoyl]formamide?
The canonical SMILES for N-[cyclopropylmethyl-[cyclopropylmethyl(oxiran-2-ylmethyl)carbamoyl]carbamoyl]formamide is O=CNC(=O)N(CC1CC1)C(=O)N(CC1CC1)CC1CO1.
What is the InChIKey of N-[cyclopropylmethyl-[cyclopropylmethyl(oxiran-2-ylmethyl)carbamoyl]carbamoyl]formamide?
The InChIKey is HUVSPHPVYPNOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c18-9-15-13(19)17(6-11-3-4-11)14(20)16(5-10-1-2-10)7-12-8-21-12/h9-12H,1-8H2,(H,15,18,19).
What are the key properties of N-[cyclopropylmethyl-[cyclopropylmethyl(oxiran-2-ylmethyl)carbamoyl]carbamoyl]formamide?
N-[cyclopropylmethyl-[cyclopropylmethyl(oxiran-2-ylmethyl)carbamoyl]carbamoyl]formamide has a molecular weight of 295.34 g/mol, XLogP of 0.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropylmethyl-[cyclopropylmethyl(oxiran-2-ylmethyl)carbamoyl]carbamoyl]formamide is sourced from PubChem (CID 134476675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).