N-[4-(dimethylamino)butan-2-yl]-2-hydrazinylbenzamide

C13H22N4O — CID 62247539

IUPACN-[4-(dimethylamino)butan-2-yl]-2-hydrazinylbenzamide
SMILESCC(CCN(C)C)NC(=O)c1ccccc1NN
InChIInChI=1S/C13H22N4O/c1-10(8-9-17(2)3)15-13(18)11-6-4-5-7-12(11)16-14/h4-7,10,16H,8-9,14H2,1-3H3,(H,15,18)
InChIKeyGZQRZIFGBMXPKD-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.04
Rot. Bonds6

About N-[4-(dimethylamino)butan-2-yl]-2-hydrazinylbenzamide

N-[4-(dimethylamino)butan-2-yl]-2-hydrazinylbenzamide (PubChem CID 62247539) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-[4-(dimethylamino)butan-2-yl]-2-hydrazinylbenzamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)butan-2-yl]-2-hydrazinylbenzamide
PubChem CID62247539
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-[4-(dimethylamino)butan-2-yl]-2-hydrazinylbenzamide
SMILESCC(CCN(C)C)NC(=O)c1ccccc1NN
InChIInChI=1S/C13H22N4O/c1-10(8-9-17(2)3)15-13(18)11-6-4-5-7-12(11)16-14/h4-7,10,16H,8-9,14H2,1-3H3,(H,15,18)
InChIKeyGZQRZIFGBMXPKD-UHFFFAOYSA-N
XLogP1.04
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-chloro-N-[4-(dimethylamino)butan-2-yl]benzamide
CID 113331728
N-[4-(dimethylamino)butan-2-yl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104614770
2-hydrazinyl-N-(1-phenylethyl)benzamide
CID 62248479
N-[2-(dimethylamino)propyl]-2-hydrazinylbenzamide
CID 62248398
N-[4-(dimethylamino)butan-2-yl]-2-fluoro-3-(trifluoromethyl)benzamide
CID 71976318
4-amino-N-[4-(dimethylamino)butan-2-yl]benzamide
CID 54963307
2-hydrazinyl-N-(3-methylbutyl)benzamide
CID 62238189
N-[4-(dimethylamino)butan-2-yl]-4-(methylamino)pyridine-3-carboxamide
CID 81239916
2-amino-N-[1-(dimethylamino)propan-2-yl]benzamide
CID 82946038
2-hydrazinyl-N,N-bis(3-methylbutyl)benzamide
CID 107871087
N-[4-(dimethylamino)butan-2-yl]-2-hydroxy-5-methylbenzamide
CID 54968038
2-[4-(dimethylamino)butan-2-ylcarbamoyl]pyridine-3-carboxylic acid
CID 63615434

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)butan-2-yl]-2-hydrazinylbenzamide?
The IUPAC name of N-[4-(dimethylamino)butan-2-yl]-2-hydrazinylbenzamide (CID 62247539) is N-[4-(dimethylamino)butan-2-yl]-2-hydrazinylbenzamide.
What is the SMILES notation for N-[4-(dimethylamino)butan-2-yl]-2-hydrazinylbenzamide?
The canonical SMILES for N-[4-(dimethylamino)butan-2-yl]-2-hydrazinylbenzamide is CC(CCN(C)C)NC(=O)c1ccccc1NN.
What is the InChIKey of N-[4-(dimethylamino)butan-2-yl]-2-hydrazinylbenzamide?
The InChIKey is GZQRZIFGBMXPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10(8-9-17(2)3)15-13(18)11-6-4-5-7-12(11)16-14/h4-7,10,16H,8-9,14H2,1-3H3,(H,15,18).
What are the key properties of N-[4-(dimethylamino)butan-2-yl]-2-hydrazinylbenzamide?
N-[4-(dimethylamino)butan-2-yl]-2-hydrazinylbenzamide has a molecular weight of 250.35 g/mol, XLogP of 1.04, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)butan-2-yl]-2-hydrazinylbenzamide is sourced from PubChem (CID 62247539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).