4-(methylamino)-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]butanamide

C14H19N3O2 — CID 115155707

IUPAC4-(methylamino)-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]butanamide
SMILESCNCCCC(=O)NCc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C14H19N3O2/c1-15-6-2-3-13(18)16-9-10-4-5-12-11(7-10)8-14(19)17-12/h4-5,7,15H,2-3,6,8-9H2,1H3,(H,16,18)(H,17,19)
InChIKeyQUWSKCIHYWTCPO-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.80
Rot. Bonds6

About 4-(methylamino)-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]butanamide

4-(methylamino)-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]butanamide (PubChem CID 115155707) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-(methylamino)-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]butanamide.

Molecular Properties

Compound Name4-(methylamino)-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]butanamide
PubChem CID115155707
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-(methylamino)-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]butanamide
SMILESCNCCCC(=O)NCc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C14H19N3O2/c1-15-6-2-3-13(18)16-9-10-4-5-12-11(7-10)8-14(19)17-12/h4-5,7,15H,2-3,6,8-9H2,1H3,(H,16,18)(H,17,19)
InChIKeyQUWSKCIHYWTCPO-UHFFFAOYSA-N
XLogP0.80
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(methylamino)ethyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride
CID 119502632
4-oxo-4-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]butanoic acid
CID 82501019
2-(4-methylphenyl)-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]acetamide
CID 110781350
N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 115158229
5-[2-[3-(methylamino)propylamino]ethyl]-1,3-dihydroindol-2-one
CID 115197988
4-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]butanoic acid
CID 115218605
N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 69247393
3,4-dimethyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]benzamide
CID 110781303
N'-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)acetohydrazide
CID 116846191
N-methyl-3-(methylamino)-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]propanamide
CID 115153275
5-[[[1-(methylaminomethyl)cyclopropyl]methylamino]methyl]-1,3-dihydroindol-2-one
CID 115244726
N-[(3,4-difluorophenyl)methyl]-4-(methylamino)butanamide
CID 54966098

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]butanamide?
The IUPAC name of 4-(methylamino)-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]butanamide (CID 115155707) is 4-(methylamino)-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]butanamide.
What is the SMILES notation for 4-(methylamino)-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]butanamide?
The canonical SMILES for 4-(methylamino)-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]butanamide is CNCCCC(=O)NCc1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 4-(methylamino)-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]butanamide?
The InChIKey is QUWSKCIHYWTCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-15-6-2-3-13(18)16-9-10-4-5-12-11(7-10)8-14(19)17-12/h4-5,7,15H,2-3,6,8-9H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 4-(methylamino)-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]butanamide?
4-(methylamino)-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]butanamide has a molecular weight of 261.32 g/mol, XLogP of 0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]butanamide is sourced from PubChem (CID 115155707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).