5-(diaminomethylideneamino)-N-(3-formyl-4-methoxyphenyl)pentanamide

C14H20N4O3 — CID 131994630

IUPAC5-(diaminomethylideneamino)-N-(3-formyl-4-methoxyphenyl)pentanamide
SMILESCOc1ccc(NC(=O)CCCCN=C(N)N)cc1C=O
InChIInChI=1S/C14H20N4O3/c1-21-12-6-5-11(8-10(12)9-19)18-13(20)4-2-3-7-17-14(15)16/h5-6,8-9H,2-4,7H2,1H3,(H,18,20)(H4,15,16,17)
InChIKeyLHAXHNJXUYOJRS-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.89
Rot. Bonds8

About 5-(diaminomethylideneamino)-N-(3-formyl-4-methoxyphenyl)pentanamide

5-(diaminomethylideneamino)-N-(3-formyl-4-methoxyphenyl)pentanamide (PubChem CID 131994630) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 5-(diaminomethylideneamino)-N-(3-formyl-4-methoxyphenyl)pentanamide.

Molecular Properties

Compound Name5-(diaminomethylideneamino)-N-(3-formyl-4-methoxyphenyl)pentanamide
PubChem CID131994630
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name5-(diaminomethylideneamino)-N-(3-formyl-4-methoxyphenyl)pentanamide
SMILESCOc1ccc(NC(=O)CCCCN=C(N)N)cc1C=O
InChIInChI=1S/C14H20N4O3/c1-21-12-6-5-11(8-10(12)9-19)18-13(20)4-2-3-7-17-14(15)16/h5-6,8-9H,2-4,7H2,1H3,(H,18,20)(H4,15,16,17)
InChIKeyLHAXHNJXUYOJRS-UHFFFAOYSA-N
XLogP0.89
TPSA119.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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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Related Compounds

N-(3,4-dimethoxyphenyl)-5-fluoropentanamide
CID 24786653
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
N'-(3-aminophenyl)-N-(3,4-dimethoxyphenyl)heptanediamide
CID 71483836
N-(3-amino-4-methoxyphenyl)octanamide
CID 43599945
N-(3-amino-4-methoxyphenyl)octadecanamide
CID 11361725
5-hydroxy-N-(4-methoxy-3-methylphenyl)pentanamide
CID 79208943
N-(3,4-dimethoxyphenyl)-3-hydroxypropanamide
CID 94259640
N-[[4-[8-(diaminomethylideneamino)octoxy]-3-methoxyphenyl]methyl]nonanamide
CID 171348881
4-amino-N-(3-ethyl-4-methoxyphenyl)butanamide
CID 98784022
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
2-methoxy-5-(methylamino)benzaldehyde
CID 91654246
N-(4-acetamidophenyl)-4-(3,4-dimethoxyphenyl)butanamide
CID 110423899

Frequently Asked Questions

What is the IUPAC name of 5-(diaminomethylideneamino)-N-(3-formyl-4-methoxyphenyl)pentanamide?
The IUPAC name of 5-(diaminomethylideneamino)-N-(3-formyl-4-methoxyphenyl)pentanamide (CID 131994630) is 5-(diaminomethylideneamino)-N-(3-formyl-4-methoxyphenyl)pentanamide.
What is the SMILES notation for 5-(diaminomethylideneamino)-N-(3-formyl-4-methoxyphenyl)pentanamide?
The canonical SMILES for 5-(diaminomethylideneamino)-N-(3-formyl-4-methoxyphenyl)pentanamide is COc1ccc(NC(=O)CCCCN=C(N)N)cc1C=O.
What is the InChIKey of 5-(diaminomethylideneamino)-N-(3-formyl-4-methoxyphenyl)pentanamide?
The InChIKey is LHAXHNJXUYOJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-21-12-6-5-11(8-10(12)9-19)18-13(20)4-2-3-7-17-14(15)16/h5-6,8-9H,2-4,7H2,1H3,(H,18,20)(H4,15,16,17).
What are the key properties of 5-(diaminomethylideneamino)-N-(3-formyl-4-methoxyphenyl)pentanamide?
5-(diaminomethylideneamino)-N-(3-formyl-4-methoxyphenyl)pentanamide has a molecular weight of 292.34 g/mol, XLogP of 0.89, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diaminomethylideneamino)-N-(3-formyl-4-methoxyphenyl)pentanamide is sourced from PubChem (CID 131994630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).