N-[3-[2-[4-[(hydrazinecarbonylamino)methyl]phenyl]ethyl]phenyl]acetamide

C18H22N4O2 — CID 151709013

IUPACN-[3-[2-[4-[(hydrazinecarbonylamino)methyl]phenyl]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(CCc2ccc(CNC(=O)NN)cc2)c1
InChIInChI=1S/C18H22N4O2/c1-13(23)21-17-4-2-3-15(11-17)8-5-14-6-9-16(10-7-14)12-20-18(24)22-19/h2-4,6-7,9-11H,5,8,12,19H2,1H3,(H,21,23)(H2,20,22,24)
InChIKeyRGDUCBDMRLBJLK-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.10
Rot. Bonds6

About N-[3-[2-[4-[(hydrazinecarbonylamino)methyl]phenyl]ethyl]phenyl]acetamide

N-[3-[2-[4-[(hydrazinecarbonylamino)methyl]phenyl]ethyl]phenyl]acetamide (PubChem CID 151709013) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[3-[2-[4-[(hydrazinecarbonylamino)methyl]phenyl]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-[4-[(hydrazinecarbonylamino)methyl]phenyl]ethyl]phenyl]acetamide
PubChem CID151709013
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-[3-[2-[4-[(hydrazinecarbonylamino)methyl]phenyl]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(CCc2ccc(CNC(=O)NN)cc2)c1
InChIInChI=1S/C18H22N4O2/c1-13(23)21-17-4-2-3-15(11-17)8-5-14-6-9-16(10-7-14)12-20-18(24)22-19/h2-4,6-7,9-11H,5,8,12,19H2,1H3,(H,21,23)(H2,20,22,24)
InChIKeyRGDUCBDMRLBJLK-UHFFFAOYSA-N
XLogP2.10
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-[2-[4-[(hydrazinecarbonylamino)methyl]phenyl]ethyl]phenyl]acetamide 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

N-[3-[(4-chlorophenyl)methylcarbamoylamino]phenyl]acetamide
CID 108884075
N-[3-(hydrazinecarbonylamino)phenyl]acetamide
CID 82283644
N-[(3-acetamidophenyl)methyl]-1-aminocyclopropane-1-carboxamide
CID 119706274
1-[3-(aminomethyl)phenyl]-3-[(4-ethylphenyl)methyl]urea
CID 106900402
1-[3-(3-aminopropyl)phenyl]-3-benzylurea
CID 107654561
N-[4-[2-[4-[(hydrazinecarbonylamino)methyl]phenyl]ethynyl]phenyl]acetamide
CID 151828109
N-[(3-acetamidophenyl)methyl]-1-aminocyclopentane-1-carboxamide;hydrochloride
CID 119280076
(2R)-3-(3-acetamidophenyl)-2-aminopropanoic acid
CID 135331594
N-[3-(aminomethyl)phenyl]acetamide;hydrochloride
CID 2760945
N-[3-[2-(4-methylphenyl)ethylcarbamoylamino]phenyl]acetamide
CID 108884258
1-benzyl-3-(3-methylsulfanylphenyl)urea
CID 2822822
N-[3-[(3,4-dimethoxyphenyl)methylcarbamoylamino]phenyl]acetamide
CID 38167581

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[4-[(hydrazinecarbonylamino)methyl]phenyl]ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[2-[4-[(hydrazinecarbonylamino)methyl]phenyl]ethyl]phenyl]acetamide (CID 151709013) is N-[3-[2-[4-[(hydrazinecarbonylamino)methyl]phenyl]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-[4-[(hydrazinecarbonylamino)methyl]phenyl]ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[2-[4-[(hydrazinecarbonylamino)methyl]phenyl]ethyl]phenyl]acetamide is CC(=O)Nc1cccc(CCc2ccc(CNC(=O)NN)cc2)c1.
What is the InChIKey of N-[3-[2-[4-[(hydrazinecarbonylamino)methyl]phenyl]ethyl]phenyl]acetamide?
The InChIKey is RGDUCBDMRLBJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13(23)21-17-4-2-3-15(11-17)8-5-14-6-9-16(10-7-14)12-20-18(24)22-19/h2-4,6-7,9-11H,5,8,12,19H2,1H3,(H,21,23)(H2,20,22,24).
What are the key properties of N-[3-[2-[4-[(hydrazinecarbonylamino)methyl]phenyl]ethyl]phenyl]acetamide?
N-[3-[2-[4-[(hydrazinecarbonylamino)methyl]phenyl]ethyl]phenyl]acetamide has a molecular weight of 326.40 g/mol, XLogP of 2.10, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[4-[(hydrazinecarbonylamino)methyl]phenyl]ethyl]phenyl]acetamide is sourced from PubChem (CID 151709013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).