3-phenyl-N-[N'-(3-phenylpropyl)carbamimidoyl]butanamide

C20H25N3O — CID 90667260

IUPAC3-phenyl-N-[N'-(3-phenylpropyl)carbamimidoyl]butanamide
SMILESCC(CC(=O)N/C(N)=N/CCCc1ccccc1)c1ccccc1
InChIInChI=1S/C20H25N3O/c1-16(18-12-6-3-7-13-18)15-19(24)23-20(21)22-14-8-11-17-9-4-2-5-10-17/h2-7,9-10,12-13,16H,8,11,14-15H2,1H3,(H3,21,22,23,24)
InChIKeyDVVYVZQFUWZIPD-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.24
Rot. Bonds7

About 3-phenyl-N-[N'-(3-phenylpropyl)carbamimidoyl]butanamide

3-phenyl-N-[N'-(3-phenylpropyl)carbamimidoyl]butanamide (PubChem CID 90667260) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 3-phenyl-N-[N'-(3-phenylpropyl)carbamimidoyl]butanamide.

Molecular Properties

Compound Name3-phenyl-N-[N'-(3-phenylpropyl)carbamimidoyl]butanamide
PubChem CID90667260
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name3-phenyl-N-[N'-(3-phenylpropyl)carbamimidoyl]butanamide
SMILESCC(CC(=O)N/C(N)=N/CCCc1ccccc1)c1ccccc1
InChIInChI=1S/C20H25N3O/c1-16(18-12-6-3-7-13-18)15-19(24)23-20(21)22-14-8-11-17-9-4-2-5-10-17/h2-7,9-10,12-13,16H,8,11,14-15H2,1H3,(H3,21,22,23,24)
InChIKeyDVVYVZQFUWZIPD-UHFFFAOYSA-N
XLogP3.24
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[N'-(3-phenylpropyl)carbamimidoyl]butanamide?
The IUPAC name of 3-phenyl-N-[N'-(3-phenylpropyl)carbamimidoyl]butanamide (CID 90667260) is 3-phenyl-N-[N'-(3-phenylpropyl)carbamimidoyl]butanamide.
What is the SMILES notation for 3-phenyl-N-[N'-(3-phenylpropyl)carbamimidoyl]butanamide?
The canonical SMILES for 3-phenyl-N-[N'-(3-phenylpropyl)carbamimidoyl]butanamide is CC(CC(=O)N/C(N)=N/CCCc1ccccc1)c1ccccc1.
What is the InChIKey of 3-phenyl-N-[N'-(3-phenylpropyl)carbamimidoyl]butanamide?
The InChIKey is DVVYVZQFUWZIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-16(18-12-6-3-7-13-18)15-19(24)23-20(21)22-14-8-11-17-9-4-2-5-10-17/h2-7,9-10,12-13,16H,8,11,14-15H2,1H3,(H3,21,22,23,24).
What are the key properties of 3-phenyl-N-[N'-(3-phenylpropyl)carbamimidoyl]butanamide?
3-phenyl-N-[N'-(3-phenylpropyl)carbamimidoyl]butanamide has a molecular weight of 323.44 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[N'-(3-phenylpropyl)carbamimidoyl]butanamide is sourced from PubChem (CID 90667260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).