N-(2,3-dihydro-1H-inden-1-yl)-N-[(4-methylphenyl)methyl]-3-(oxolan-2-ylmethoxy)propanamide

C25H31NO3 — CID 55991521

IUPACN-(2,3-dihydro-1H-inden-1-yl)-N-[(4-methylphenyl)methyl]-3-(oxolan-2-ylmethoxy)propanamide
SMILESCc1ccc(CN(C(=O)CCOCC2CCCO2)C2CCc3ccccc32)cc1
InChIInChI=1S/C25H31NO3/c1-19-8-10-20(11-9-19)17-26(24-13-12-21-5-2-3-7-23(21)24)25(27)14-16-28-18-22-6-4-15-29-22/h2-3,5,7-11,22,24H,4,6,12-18H2,1H3
InChIKeyHQAVPTVSHBWPDC-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.60
Rot. Bonds8

About N-(2,3-dihydro-1H-inden-1-yl)-N-[(4-methylphenyl)methyl]-3-(oxolan-2-ylmethoxy)propanamide

N-(2,3-dihydro-1H-inden-1-yl)-N-[(4-methylphenyl)methyl]-3-(oxolan-2-ylmethoxy)propanamide (PubChem CID 55991521) has the molecular formula C25H31NO3 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-N-[(4-methylphenyl)methyl]-3-(oxolan-2-ylmethoxy)propanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-N-[(4-methylphenyl)methyl]-3-(oxolan-2-ylmethoxy)propanamide
PubChem CID55991521
Molecular FormulaC25H31NO3
Molecular Weight393.53 g/mol
Exact Mass393.23
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-N-[(4-methylphenyl)methyl]-3-(oxolan-2-ylmethoxy)propanamide
SMILESCc1ccc(CN(C(=O)CCOCC2CCCO2)C2CCc3ccccc32)cc1
InChIInChI=1S/C25H31NO3/c1-19-8-10-20(11-9-19)17-26(24-13-12-21-5-2-3-7-23(21)24)25(27)14-16-28-18-22-6-4-15-29-22/h2-3,5,7-11,22,24H,4,6,12-18H2,1H3
InChIKeyHQAVPTVSHBWPDC-UHFFFAOYSA-N
XLogP4.60
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-3-(oxolan-2-ylmethoxy)-N-propylpropanamide
CID 78875889
N-(2-aminoethyl)-3-(oxolan-2-ylmethoxy)-N-(2-phenylethyl)propanamide
CID 120886456
N-(2,3-dihydro-1H-inden-1-yl)-N-[(4-methylphenyl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55991774
3-acetamido-N-(2,3-dihydro-1H-inden-1-yl)-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]propanamide
CID 55835228
N-(2,3-dihydro-1H-inden-1-yl)-N-[(4-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 55991395
N-cyclopropyl-N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)propanamide
CID 78876101
1-[[(2S)-oxolan-2-yl]methoxy]-3,4-dihydro-1H-isochromene
CID 91083290
2-[2-methoxyethyl-[3-(oxolan-2-ylmethoxy)propanoyl]amino]acetic acid
CID 119189387
2-methyl-5-[[methyl-[3-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]methyl]furan-3-carboxylic acid
CID 125151720
N-cyclopropyl-4-methyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]benzamide
CID 26320335
2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]-N-propylacetamide
CID 60514069
1-[3-[benzyl(methyl)amino]propyl]-2-methyl-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 111408363

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-N-[(4-methylphenyl)methyl]-3-(oxolan-2-ylmethoxy)propanamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-N-[(4-methylphenyl)methyl]-3-(oxolan-2-ylmethoxy)propanamide (CID 55991521) is N-(2,3-dihydro-1H-inden-1-yl)-N-[(4-methylphenyl)methyl]-3-(oxolan-2-ylmethoxy)propanamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-N-[(4-methylphenyl)methyl]-3-(oxolan-2-ylmethoxy)propanamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-N-[(4-methylphenyl)methyl]-3-(oxolan-2-ylmethoxy)propanamide is Cc1ccc(CN(C(=O)CCOCC2CCCO2)C2CCc3ccccc32)cc1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-N-[(4-methylphenyl)methyl]-3-(oxolan-2-ylmethoxy)propanamide?
The InChIKey is HQAVPTVSHBWPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31NO3/c1-19-8-10-20(11-9-19)17-26(24-13-12-21-5-2-3-7-23(21)24)25(27)14-16-28-18-22-6-4-15-29-22/h2-3,5,7-11,22,24H,4,6,12-18H2,1H3.
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-N-[(4-methylphenyl)methyl]-3-(oxolan-2-ylmethoxy)propanamide?
N-(2,3-dihydro-1H-inden-1-yl)-N-[(4-methylphenyl)methyl]-3-(oxolan-2-ylmethoxy)propanamide has a molecular weight of 393.53 g/mol, XLogP of 4.60, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-N-[(4-methylphenyl)methyl]-3-(oxolan-2-ylmethoxy)propanamide is sourced from PubChem (CID 55991521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).