N-[2-[[5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2,3-dihydroindol-1-yl]methyl]butyl]-N-ethyl-2-methylpropanamide

C22H34N4O — CID 144921334

IUPACN-[2-[[5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2,3-dihydroindol-1-yl]methyl]butyl]-N-ethyl-2-methylpropanamide
SMILES[H]/N=C/C(=C\N)c1ccc2c(c1)CCN2CC(CC)CN(CC)C(=O)C(C)C
InChIInChI=1S/C22H34N4O/c1-5-17(14-25(6-2)22(27)16(3)4)15-26-10-9-19-11-18(7-8-21(19)26)20(12-23)13-24/h7-8,11-13,16-17,23H,5-6,9-10,14-15,24H2,1-4H3/b20-13+,23-12+
InChIKeyZHCOBEKLLBJAMN-BRQZQEFTSA-N
MW370.54 g/mol
LogP3.53
Rot. Bonds9

About N-[2-[[5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2,3-dihydroindol-1-yl]methyl]butyl]-N-ethyl-2-methylpropanamide

N-[2-[[5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2,3-dihydroindol-1-yl]methyl]butyl]-N-ethyl-2-methylpropanamide (PubChem CID 144921334) has the molecular formula C22H34N4O and a molecular weight of 370.54 g/mol. Its IUPAC name is N-[2-[[5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2,3-dihydroindol-1-yl]methyl]butyl]-N-ethyl-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[[5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2,3-dihydroindol-1-yl]methyl]butyl]-N-ethyl-2-methylpropanamide
PubChem CID144921334
Molecular FormulaC22H34N4O
Molecular Weight370.54 g/mol
Exact Mass370.27
IUPAC NameN-[2-[[5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2,3-dihydroindol-1-yl]methyl]butyl]-N-ethyl-2-methylpropanamide
SMILES[H]/N=C/C(=C\N)c1ccc2c(c1)CCN2CC(CC)CN(CC)C(=O)C(C)C
InChIInChI=1S/C22H34N4O/c1-5-17(14-25(6-2)22(27)16(3)4)15-26-10-9-19-11-18(7-8-21(19)26)20(12-23)13-24/h7-8,11-13,16-17,23H,5-6,9-10,14-15,24H2,1-4H3/b20-13+,23-12+
InChIKeyZHCOBEKLLBJAMN-BRQZQEFTSA-N
XLogP3.53
TPSA73.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[5-[2-(Piperidin-4-ylmethylamino)cyclopropyl]-2,3-dihydroindol-1-yl]pentan-1-one
CID 132240690
1-[5-[2-(Piperidin-4-ylmethylamino)cyclopropyl]-2,3-dihydroindol-1-yl]butan-1-one
CID 132240698
1-[5-[2-(Piperidin-4-ylmethylamino)cyclopropyl]-2,3-dihydroindol-1-yl]propan-1-one
CID 132240701
2,2-Dimethyl-1-[5-[2-(piperidin-4-ylmethylamino)cyclopropyl]-2,3-dihydroindol-1-yl]propan-1-one
CID 132240711
1-(5-Methyl-2,3-dihydroindol-1-yl)ethanone
CID 18723618
Pyrido[4,3-b]indole, 1,2,3,4,4a,9b-hexahydro-5-acetyl-2,8-dimethyl-
CID 546999
N-{[1-(3-Methylbutanoyl)-2,3-dihydro-1H-indol-5-YL]methyl}cyclopropanecarboxamide
CID 53093919
N-{[1-(3-Methylbutanoyl)-2,3-dihydro-1H-indol-5-YL]methyl}butanamide
CID 53093942
2-methyl-1-(5-methylspiro[2H-indole-3,4'-piperidine]-1-yl)propan-1-one
CID 97503993
5-(Aminomethyl)-1-methylindolin-2-one
CID 64083474
Butan-1-one, 1-(1,2,3,4,4a,9b-hexahydro-2,8-dimethylpyrido[4,3-b]indol-5-yl)-
CID 547004
Propan-1-one, 1-(1,2,3,4-tetrahydro-2,8-dimethyl-5-pyrido[4,3-b]indolyl)-
CID 547053

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2,3-dihydroindol-1-yl]methyl]butyl]-N-ethyl-2-methylpropanamide?
The IUPAC name of N-[2-[[5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2,3-dihydroindol-1-yl]methyl]butyl]-N-ethyl-2-methylpropanamide (CID 144921334) is N-[2-[[5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2,3-dihydroindol-1-yl]methyl]butyl]-N-ethyl-2-methylpropanamide.
What is the SMILES notation for N-[2-[[5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2,3-dihydroindol-1-yl]methyl]butyl]-N-ethyl-2-methylpropanamide?
The canonical SMILES for N-[2-[[5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2,3-dihydroindol-1-yl]methyl]butyl]-N-ethyl-2-methylpropanamide is [H]/N=C/C(=C\N)c1ccc2c(c1)CCN2CC(CC)CN(CC)C(=O)C(C)C.
What is the InChIKey of N-[2-[[5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2,3-dihydroindol-1-yl]methyl]butyl]-N-ethyl-2-methylpropanamide?
The InChIKey is ZHCOBEKLLBJAMN-BRQZQEFTSA-N. The full InChI is InChI=1S/C22H34N4O/c1-5-17(14-25(6-2)22(27)16(3)4)15-26-10-9-19-11-18(7-8-21(19)26)20(12-23)13-24/h7-8,11-13,16-17,23H,5-6,9-10,14-15,24H2,1-4H3/b20-13+,23-12+.
What are the key properties of N-[2-[[5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2,3-dihydroindol-1-yl]methyl]butyl]-N-ethyl-2-methylpropanamide?
N-[2-[[5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2,3-dihydroindol-1-yl]methyl]butyl]-N-ethyl-2-methylpropanamide has a molecular weight of 370.54 g/mol, XLogP of 3.53, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2,3-dihydroindol-1-yl]methyl]butyl]-N-ethyl-2-methylpropanamide is sourced from PubChem (CID 144921334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).