N-(diaminomethylidene)-5-phenylpentanamide

C12H17N3O — CID 56974578

IUPACN-(diaminomethylidene)-5-phenylpentanamide
SMILESNC(N)=NC(=O)CCCCc1ccccc1
InChIInChI=1S/C12H17N3O/c13-12(14)15-11(16)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H4,13,14,15,16)
InChIKeyZNQRPRSFGNXVDU-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.20
Rot. Bonds5

About N-(diaminomethylidene)-5-phenylpentanamide

N-(diaminomethylidene)-5-phenylpentanamide (PubChem CID 56974578) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-(diaminomethylidene)-5-phenylpentanamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-5-phenylpentanamide
PubChem CID56974578
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-(diaminomethylidene)-5-phenylpentanamide
SMILESNC(N)=NC(=O)CCCCc1ccccc1
InChIInChI=1S/C12H17N3O/c13-12(14)15-11(16)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H4,13,14,15,16)
InChIKeyZNQRPRSFGNXVDU-UHFFFAOYSA-N
XLogP1.20
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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'}

Analyze N-(diaminomethylidene)-5-phenylpentanamide with MolForge

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

Launch Full Analysis

Related Compounds

1,9-diphenylnonan-5-one
CID 23467830
15-phenylpentadecanoic acid
CID 2737151
N-carbamothioyl-5-phenylpentanamide
CID 154164034
4-phenylbutylbenzene
CID 141301927
3-[4-[[5-(diaminomethylideneamino)-5-oxopentanoyl]amino]phenyl]propanoic acid
CID 70099974
sodium;hydride;15-phenylpentadecanoic acid;selane
CID 174846933
potassium 15-phenylpentadecanoate
CID 23717018
sodium;hydride;12-phenyldodecanoic acid;selane
CID 174847736
N-(diaminomethylidene)-3-phenylpropanethioamide
CID 135051861
7-[5-(3-phenylpropyl)thiophen-2-yl]heptanamide
CID 15667483
18-[4-(18-amino-18-oxooctadecyl)phenyl]octadecanamide
CID 66765992
2-(3-phenylpropyl)guanidine;hydrochloride
CID 141469420

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-5-phenylpentanamide?
The IUPAC name of N-(diaminomethylidene)-5-phenylpentanamide (CID 56974578) is N-(diaminomethylidene)-5-phenylpentanamide.
What is the SMILES notation for N-(diaminomethylidene)-5-phenylpentanamide?
The canonical SMILES for N-(diaminomethylidene)-5-phenylpentanamide is NC(N)=NC(=O)CCCCc1ccccc1.
What is the InChIKey of N-(diaminomethylidene)-5-phenylpentanamide?
The InChIKey is ZNQRPRSFGNXVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c13-12(14)15-11(16)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H4,13,14,15,16).
What are the key properties of N-(diaminomethylidene)-5-phenylpentanamide?
N-(diaminomethylidene)-5-phenylpentanamide has a molecular weight of 219.29 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-5-phenylpentanamide is sourced from PubChem (CID 56974578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).