N-(3-aminopropyl)-N-[4-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]propanamide

C27H28N4O2 — CID 57112149

IUPACN-(3-aminopropyl)-N-[4-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]propanamide
SMILESCCC(=O)N(CCCN)c1ccc(/N=C(\c2ccccc2)C2C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C27H28N4O2/c1-2-24(32)31(18-8-17-28)21-15-13-20(14-16-21)29-26(19-9-4-3-5-10-19)25-22-11-6-7-12-23(22)30-27(25)33/h3-7,9-16,25H,2,8,17-18,28H2,1H3,(H,30,33)/b29-26+
InChIKeyMHXUBNTVVUPONJ-PBBVDAKRSA-N
MW440.55 g/mol
LogP4.64
Rot. Bonds8

About N-(3-aminopropyl)-N-[4-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]propanamide

N-(3-aminopropyl)-N-[4-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]propanamide (PubChem CID 57112149) has the molecular formula C27H28N4O2 and a molecular weight of 440.55 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-[4-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-[4-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]propanamide
PubChem CID57112149
Molecular FormulaC27H28N4O2
Molecular Weight440.55 g/mol
Exact Mass440.22
IUPAC NameN-(3-aminopropyl)-N-[4-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]propanamide
SMILESCCC(=O)N(CCCN)c1ccc(/N=C(\c2ccccc2)C2C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C27H28N4O2/c1-2-24(32)31(18-8-17-28)21-15-13-20(14-16-21)29-26(19-9-4-3-5-10-19)25-22-11-6-7-12-23(22)30-27(25)33/h3-7,9-16,25H,2,8,17-18,28H2,1H3,(H,30,33)/b29-26+
InChIKeyMHXUBNTVVUPONJ-PBBVDAKRSA-N
XLogP4.64
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-[4-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]propanamide?
The IUPAC name of N-(3-aminopropyl)-N-[4-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]propanamide (CID 57112149) is N-(3-aminopropyl)-N-[4-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]propanamide.
What is the SMILES notation for N-(3-aminopropyl)-N-[4-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]propanamide?
The canonical SMILES for N-(3-aminopropyl)-N-[4-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]propanamide is CCC(=O)N(CCCN)c1ccc(/N=C(\c2ccccc2)C2C(=O)Nc3ccccc32)cc1.
What is the InChIKey of N-(3-aminopropyl)-N-[4-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]propanamide?
The InChIKey is MHXUBNTVVUPONJ-PBBVDAKRSA-N. The full InChI is InChI=1S/C27H28N4O2/c1-2-24(32)31(18-8-17-28)21-15-13-20(14-16-21)29-26(19-9-4-3-5-10-19)25-22-11-6-7-12-23(22)30-27(25)33/h3-7,9-16,25H,2,8,17-18,28H2,1H3,(H,30,33)/b29-26+.
What are the key properties of N-(3-aminopropyl)-N-[4-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]propanamide?
N-(3-aminopropyl)-N-[4-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]propanamide has a molecular weight of 440.55 g/mol, XLogP of 4.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-[4-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]propanamide is sourced from PubChem (CID 57112149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).