N-[2-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-propoxybenzamide

C21H26N4O3 — CID 3351357

IUPACN-[2-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NCC(=O)NN=Cc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C21H26N4O3/c1-4-13-28-19-11-7-17(8-12-19)21(27)22-15-20(26)24-23-14-16-5-9-18(10-6-16)25(2)3/h5-12,14H,4,13,15H2,1-3H3,(H,22,27)(H,24,26)
InChIKeySNJDLTNODMFSMW-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.42
Rot. Bonds9

About N-[2-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-propoxybenzamide

N-[2-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-propoxybenzamide (PubChem CID 3351357) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[2-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-propoxybenzamide.

Molecular Properties

Compound NameN-[2-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-propoxybenzamide
PubChem CID3351357
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-[2-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NCC(=O)NN=Cc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C21H26N4O3/c1-4-13-28-19-11-7-17(8-12-19)21(27)22-15-20(26)24-23-14-16-5-9-18(10-6-16)25(2)3/h5-12,14H,4,13,15H2,1-3H3,(H,22,27)(H,24,26)
InChIKeySNJDLTNODMFSMW-UHFFFAOYSA-N
XLogP2.42
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-butoxy-N-[2-[(2Z)-2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 6006672
4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide
CID 133169717
[4-[[[2-[(4-propoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate
CID 3350659
[4-[(Z)-[[2-[(4-butoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-methylbenzoate
CID 6154527
N-[2-oxo-2-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]ethyl]-4-propoxybenzamide
CID 3742619
4-butoxy-N-[2-[2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3470815
N-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]-4-propoxybenzamide
CID 135717106
N-[(Z)-(4-methylphenyl)methylideneamino]-4-propoxybenzamide
CID 92658946
2-methoxy-N-[2-oxo-2-[2-[(4-propoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
CID 3400317
N-[2-oxo-2-[2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]-4-propoxybenzamide
CID 3503130
4-(dimethylamino)-N-[[4-[4-[[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]phenoxy]phenyl]methylideneamino]benzamide
CID 75965267
4-methyl-N-[2-[2-[(4-methylphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3859238

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-propoxybenzamide?
The IUPAC name of N-[2-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-propoxybenzamide (CID 3351357) is N-[2-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-propoxybenzamide.
What is the SMILES notation for N-[2-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-propoxybenzamide?
The canonical SMILES for N-[2-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-propoxybenzamide is CCCOc1ccc(C(=O)NCC(=O)NN=Cc2ccc(N(C)C)cc2)cc1.
What is the InChIKey of N-[2-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-propoxybenzamide?
The InChIKey is SNJDLTNODMFSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-4-13-28-19-11-7-17(8-12-19)21(27)22-15-20(26)24-23-14-16-5-9-18(10-6-16)25(2)3/h5-12,14H,4,13,15H2,1-3H3,(H,22,27)(H,24,26).
What are the key properties of N-[2-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-propoxybenzamide?
N-[2-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-propoxybenzamide has a molecular weight of 382.46 g/mol, XLogP of 2.42, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-propoxybenzamide is sourced from PubChem (CID 3351357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).