N-[1-[3-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-5-methoxyphenyl]ethyl]-2-methyl-5-(propylamino)benzamide

C24H32N4O2 — CID 171086472

IUPACN-[1-[3-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-5-methoxyphenyl]ethyl]-2-methyl-5-(propylamino)benzamide
SMILESCCCNc1ccc(C)c(C(=O)NC(C)c2cc(OC)cc(C(=C/N)/C=N/C)c2)c1
InChIInChI=1S/C24H32N4O2/c1-6-9-27-21-8-7-16(2)23(13-21)24(29)28-17(3)18-10-19(12-22(11-18)30-5)20(14-25)15-26-4/h7-8,10-15,17,27H,6,9,25H2,1-5H3,(H,28,29)/b20-14+,26-15+
InChIKeyBZNXPEVLKNGYQE-GDGRXUHXSA-N
MW408.55 g/mol
LogP4.32
Rot. Bonds9

About N-[1-[3-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-5-methoxyphenyl]ethyl]-2-methyl-5-(propylamino)benzamide

N-[1-[3-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-5-methoxyphenyl]ethyl]-2-methyl-5-(propylamino)benzamide (PubChem CID 171086472) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N-[1-[3-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-5-methoxyphenyl]ethyl]-2-methyl-5-(propylamino)benzamide.

Molecular Properties

Compound NameN-[1-[3-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-5-methoxyphenyl]ethyl]-2-methyl-5-(propylamino)benzamide
PubChem CID171086472
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC NameN-[1-[3-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-5-methoxyphenyl]ethyl]-2-methyl-5-(propylamino)benzamide
SMILESCCCNc1ccc(C)c(C(=O)NC(C)c2cc(OC)cc(C(=C/N)/C=N/C)c2)c1
InChIInChI=1S/C24H32N4O2/c1-6-9-27-21-8-7-16(2)23(13-21)24(29)28-17(3)18-10-19(12-22(11-18)30-5)20(14-25)15-26-4/h7-8,10-15,17,27H,6,9,25H2,1-5H3,(H,28,29)/b20-14+,26-15+
InChIKeyBZNXPEVLKNGYQE-GDGRXUHXSA-N
XLogP4.32
TPSA88.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[3-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-5-methoxyphenyl]ethyl]-5-[3-[(dimethylamino)methyl]azetidin-1-yl]-2-methylbenzamide
CID 171086196
N-[1-[3-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-5-methoxyphenyl]ethyl]-5-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylbenzamide;ethane
CID 171085993
N-[(1R)-1-[3-(1-amino-3-methyliminoprop-1-en-2-yl)-5-methoxyphenyl]ethyl]-5-[3-(ethylamino)cyclohexyl]-2-methylbenzamide
CID 174284308
N-[(1R)-1-[3-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-5-methoxyphenyl]ethyl]-2-methyl-5-(3-piperidin-1-ylazetidin-1-yl)benzamide
CID 171085945
N-[1-[3-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-4-(2-hydroxyethoxy)phenyl]ethyl]-5-[2-(butylamino)ethylamino]-2-methylbenzamide
CID 171086459
N-[(1R)-1-[3-(1-amino-3-methyliminoprop-1-en-2-yl)-5-propan-2-yloxyphenyl]ethyl]-2-methyl-5-[3-(methylamino)azetidin-1-yl]benzamide
CID 174284116
N-[(1R)-1-[3-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-5-(2,2,2-trifluoroethoxy)phenyl]ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide
CID 171086226
5-[2-[butyl(ethyl)amino]ethylamino]-N-[1-[3-methoxy-5-(2-methoxyethoxy)phenyl]ethyl]-2-methylbenzamide
CID 174280048
N-[1-[3-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-5-methoxyphenyl]ethyl]-2-methyl-5-[4-[methyl(3,3,3-trifluoropropyl)amino]butan-2-yl]cyclohexa-1,5-diene-1-carboxamide
CID 171085976
N-[(1R)-1-[3-(1-amino-3-methyliminoprop-1-en-2-yl)-5-methoxy-4-propan-2-yloxyphenyl]ethyl]-2,5-dimethylbenzamide
CID 174283885
N-[(1R)-1-[3-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-5-propan-2-ylphenyl]ethyl]-2-methyl-5-[3-(methylamino)azetidin-1-yl]benzamide
CID 171086234
N-[(1R)-1-[3-(1-amino-3-methyliminoprop-1-en-2-yl)-4,5-dimethoxyphenyl]ethyl]-5-[(3S,5R)-4-ethyl-3,5-dimethylpiperazin-1-yl]-2-methylbenzamide
CID 174283872

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-5-methoxyphenyl]ethyl]-2-methyl-5-(propylamino)benzamide?
The IUPAC name of N-[1-[3-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-5-methoxyphenyl]ethyl]-2-methyl-5-(propylamino)benzamide (CID 171086472) is N-[1-[3-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-5-methoxyphenyl]ethyl]-2-methyl-5-(propylamino)benzamide.
What is the SMILES notation for N-[1-[3-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-5-methoxyphenyl]ethyl]-2-methyl-5-(propylamino)benzamide?
The canonical SMILES for N-[1-[3-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-5-methoxyphenyl]ethyl]-2-methyl-5-(propylamino)benzamide is CCCNc1ccc(C)c(C(=O)NC(C)c2cc(OC)cc(C(=C/N)/C=N/C)c2)c1.
What is the InChIKey of N-[1-[3-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-5-methoxyphenyl]ethyl]-2-methyl-5-(propylamino)benzamide?
The InChIKey is BZNXPEVLKNGYQE-GDGRXUHXSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-6-9-27-21-8-7-16(2)23(13-21)24(29)28-17(3)18-10-19(12-22(11-18)30-5)20(14-25)15-26-4/h7-8,10-15,17,27H,6,9,25H2,1-5H3,(H,28,29)/b20-14+,26-15+.
What are the key properties of N-[1-[3-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-5-methoxyphenyl]ethyl]-2-methyl-5-(propylamino)benzamide?
N-[1-[3-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-5-methoxyphenyl]ethyl]-2-methyl-5-(propylamino)benzamide has a molecular weight of 408.55 g/mol, XLogP of 4.32, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-5-methoxyphenyl]ethyl]-2-methyl-5-(propylamino)benzamide is sourced from PubChem (CID 171086472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).