N'-(cyclopentylmethyl)-4-(dimethylamino)benzohydrazide

C15H23N3O — CID 117094795

IUPACN'-(cyclopentylmethyl)-4-(dimethylamino)benzohydrazide
SMILESCN(C)c1ccc(C(=O)NNCC2CCCC2)cc1
InChIInChI=1S/C15H23N3O/c1-18(2)14-9-7-13(8-10-14)15(19)17-16-11-12-5-3-4-6-12/h7-10,12,16H,3-6,11H2,1-2H3,(H,17,19)
InChIKeyLJBJHPWKSLDVNC-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.18
Rot. Bonds5

About N'-(cyclopentylmethyl)-4-(dimethylamino)benzohydrazide

N'-(cyclopentylmethyl)-4-(dimethylamino)benzohydrazide (PubChem CID 117094795) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N'-(cyclopentylmethyl)-4-(dimethylamino)benzohydrazide.

Molecular Properties

Compound NameN'-(cyclopentylmethyl)-4-(dimethylamino)benzohydrazide
PubChem CID117094795
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN'-(cyclopentylmethyl)-4-(dimethylamino)benzohydrazide
SMILESCN(C)c1ccc(C(=O)NNCC2CCCC2)cc1
InChIInChI=1S/C15H23N3O/c1-18(2)14-9-7-13(8-10-14)15(19)17-16-11-12-5-3-4-6-12/h7-10,12,16H,3-6,11H2,1-2H3,(H,17,19)
InChIKeyLJBJHPWKSLDVNC-UHFFFAOYSA-N
XLogP2.18
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(dimethylamino)-N-[(2S)-2-hydroxycyclohexyl]benzamide
CID 134880490
4-(dimethylamino)-N-[(1R,2S)-2-hydroxycycloheptyl]benzamide
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4-(dimethylamino)-N-(piperidin-3-ylmethyl)benzamide
CID 43329219
4-(dimethylamino)-N-propan-2-ylbenzamide
CID 18712040
N-(2-aminocyclohexyl)-4-(dimethylamino)benzamide
CID 61037234
N-[2-(bromomethyl)cyclohexyl]-4-(dimethylamino)benzamide
CID 106367084
N-[(3-bromocyclopentyl)methyl]-4-(dimethylamino)benzamide
CID 106127955
4-(dimethylamino)-N'-(4-fluorobenzoyl)benzohydrazide
CID 3914670
2-cyclopentyl-N-[4-(dimethylamino)phenyl]acetamide
CID 47097970
2-cyclopropyl-2-[[4-(dimethylamino)benzoyl]amino]propanoic acid
CID 43163018
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-(dimethylamino)benzamide
CID 90214253
3-amino-N-(cyclohexylmethyl)-4-(dimethylamino)benzamide
CID 61094001

Frequently Asked Questions

What is the IUPAC name of N'-(cyclopentylmethyl)-4-(dimethylamino)benzohydrazide?
The IUPAC name of N'-(cyclopentylmethyl)-4-(dimethylamino)benzohydrazide (CID 117094795) is N'-(cyclopentylmethyl)-4-(dimethylamino)benzohydrazide.
What is the SMILES notation for N'-(cyclopentylmethyl)-4-(dimethylamino)benzohydrazide?
The canonical SMILES for N'-(cyclopentylmethyl)-4-(dimethylamino)benzohydrazide is CN(C)c1ccc(C(=O)NNCC2CCCC2)cc1.
What is the InChIKey of N'-(cyclopentylmethyl)-4-(dimethylamino)benzohydrazide?
The InChIKey is LJBJHPWKSLDVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-18(2)14-9-7-13(8-10-14)15(19)17-16-11-12-5-3-4-6-12/h7-10,12,16H,3-6,11H2,1-2H3,(H,17,19).
What are the key properties of N'-(cyclopentylmethyl)-4-(dimethylamino)benzohydrazide?
N'-(cyclopentylmethyl)-4-(dimethylamino)benzohydrazide has a molecular weight of 261.37 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopentylmethyl)-4-(dimethylamino)benzohydrazide is sourced from PubChem (CID 117094795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).