N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-4-methylbenzamide

C19H18N4O2 — CID 3999829

IUPACN-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-4-methylbenzamide
SMILESCc1ccc(C(=O)NN=Cc2cn(CC(N)=O)c3ccccc23)cc1
InChIInChI=1S/C19H18N4O2/c1-13-6-8-14(9-7-13)19(25)22-21-10-15-11-23(12-18(20)24)17-5-3-2-4-16(15)17/h2-11H,12H2,1H3,(H2,20,24)(H,22,25)
InChIKeyPRSDIMFINUZPPR-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.20
Rot. Bonds5

About N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-4-methylbenzamide

N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-4-methylbenzamide (PubChem CID 3999829) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-4-methylbenzamide.

Molecular Properties

Compound NameN-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-4-methylbenzamide
PubChem CID3999829
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-4-methylbenzamide
SMILESCc1ccc(C(=O)NN=Cc2cn(CC(N)=O)c3ccccc23)cc1
InChIInChI=1S/C19H18N4O2/c1-13-6-8-14(9-7-13)19(25)22-21-10-15-11-23(12-18(20)24)17-5-3-2-4-16(15)17/h2-11H,12H2,1H3,(H2,20,24)(H,22,25)
InChIKeyPRSDIMFINUZPPR-UHFFFAOYSA-N
XLogP2.20
TPSA89.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]benzamide
CID 3879829
N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-3-hydroxybenzamide
CID 5035642
N-[(Z)-[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-2-methylfuran-3-carboxamide
CID 6372429
4-amino-N-[(1-benzylindol-3-yl)methylideneamino]benzamide
CID 24818537
3-methyl-N-[(Z)-[1-[(4-methylphenyl)methyl]indol-3-yl]methylideneamino]benzamide
CID 126274795
N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-1-benzofuran-2-carboxamide
CID 3919047
4-amino-N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]benzamide
CID 24818544
N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-2-[(2-fluorobenzoyl)amino]benzamide
CID 3251121
N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-7-methoxy-1-benzofuran-2-carboxamide
CID 3342706
[(Z)-(1-ethylindol-3-yl)methylideneamino]urea
CID 71670103
N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-2-(2-methoxyanilino)propanamide
CID 71947279
4-iodo-N-[(E)-(1-methylindol-3-yl)methylideneamino]benzamide
CID 53371356

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-4-methylbenzamide?
The IUPAC name of N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-4-methylbenzamide (CID 3999829) is N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-4-methylbenzamide.
What is the SMILES notation for N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-4-methylbenzamide?
The canonical SMILES for N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-4-methylbenzamide is Cc1ccc(C(=O)NN=Cc2cn(CC(N)=O)c3ccccc23)cc1.
What is the InChIKey of N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-4-methylbenzamide?
The InChIKey is PRSDIMFINUZPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-13-6-8-14(9-7-13)19(25)22-21-10-15-11-23(12-18(20)24)17-5-3-2-4-16(15)17/h2-11H,12H2,1H3,(H2,20,24)(H,22,25).
What are the key properties of N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-4-methylbenzamide?
N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-4-methylbenzamide has a molecular weight of 334.38 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-4-methylbenzamide is sourced from PubChem (CID 3999829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).