4-(3-methylheptylamino)-N'-propylbenzohydrazide

C18H31N3O — CID 166858690

IUPAC4-(3-methylheptylamino)-N'-propylbenzohydrazide
SMILESCCCCC(C)CCNc1ccc(C(=O)NNCCC)cc1
InChIInChI=1S/C18H31N3O/c1-4-6-7-15(3)12-14-19-17-10-8-16(9-11-17)18(22)21-20-13-5-2/h8-11,15,19-20H,4-7,12-14H2,1-3H3,(H,21,22)
InChIKeyKQVSQPIAZPMZQO-UHFFFAOYSA-N
MW305.47 g/mol
LogP3.96
Rot. Bonds11

About 4-(3-methylheptylamino)-N'-propylbenzohydrazide

4-(3-methylheptylamino)-N'-propylbenzohydrazide (PubChem CID 166858690) has the molecular formula C18H31N3O and a molecular weight of 305.47 g/mol. Its IUPAC name is 4-(3-methylheptylamino)-N'-propylbenzohydrazide.

Molecular Properties

Compound Name4-(3-methylheptylamino)-N'-propylbenzohydrazide
PubChem CID166858690
Molecular FormulaC18H31N3O
Molecular Weight305.47 g/mol
Exact Mass305.25
IUPAC Name4-(3-methylheptylamino)-N'-propylbenzohydrazide
SMILESCCCCC(C)CCNc1ccc(C(=O)NNCCC)cc1
InChIInChI=1S/C18H31N3O/c1-4-6-7-15(3)12-14-19-17-10-8-16(9-11-17)18(22)21-20-13-5-2/h8-11,15,19-20H,4-7,12-14H2,1-3H3,(H,21,22)
InChIKeyKQVSQPIAZPMZQO-UHFFFAOYSA-N
XLogP3.96
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-octan-2-yl-4-(propylamino)benzamide
CID 63500795
N'-butyl-4-tert-butylbenzohydrazide
CID 117094788
N-(5-methylhexyl)-4-(propylamino)benzamide
CID 115327309
N-pentyl-4-(propylamino)benzamide
CID 62185567
4-(heptylamino)-N-propan-2-ylbenzamide
CID 60935201
N'-butyl-4-methylbenzohydrazide
CID 118418346
N-butan-2-yl-4-(propylamino)benzamide
CID 62171300
N-(2,3-dimethylbutyl)-4-(propylamino)benzamide
CID 64581359
N-ethyl-4-(hexylamino)benzamide
CID 43728484
1-[4-(3-methylbutylamino)phenyl]propan-1-one
CID 95443510
propan-2-yl 4-(butylamino)benzoate
CID 43228867
4-(hexan-2-ylamino)-N-methylbenzamide
CID 43781053

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylheptylamino)-N'-propylbenzohydrazide?
The IUPAC name of 4-(3-methylheptylamino)-N'-propylbenzohydrazide (CID 166858690) is 4-(3-methylheptylamino)-N'-propylbenzohydrazide.
What is the SMILES notation for 4-(3-methylheptylamino)-N'-propylbenzohydrazide?
The canonical SMILES for 4-(3-methylheptylamino)-N'-propylbenzohydrazide is CCCCC(C)CCNc1ccc(C(=O)NNCCC)cc1.
What is the InChIKey of 4-(3-methylheptylamino)-N'-propylbenzohydrazide?
The InChIKey is KQVSQPIAZPMZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O/c1-4-6-7-15(3)12-14-19-17-10-8-16(9-11-17)18(22)21-20-13-5-2/h8-11,15,19-20H,4-7,12-14H2,1-3H3,(H,21,22).
What are the key properties of 4-(3-methylheptylamino)-N'-propylbenzohydrazide?
4-(3-methylheptylamino)-N'-propylbenzohydrazide has a molecular weight of 305.47 g/mol, XLogP of 3.96, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylheptylamino)-N'-propylbenzohydrazide is sourced from PubChem (CID 166858690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).