N-cyclopropyl-3-(2,3-dihydro-1H-inden-5-ylmethylamino)propanamide

C16H22N2O — CID 79036237

IUPACN-cyclopropyl-3-(2,3-dihydro-1H-inden-5-ylmethylamino)propanamide
SMILESO=C(CCNCc1ccc2c(c1)CCC2)NC1CC1
InChIInChI=1S/C16H22N2O/c19-16(18-15-6-7-15)8-9-17-11-12-4-5-13-2-1-3-14(13)10-12/h4-5,10,15,17H,1-3,6-9,11H2,(H,18,19)
InChIKeyNVQXMOIQTYISQK-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.93
Rot. Bonds6

About N-cyclopropyl-3-(2,3-dihydro-1H-inden-5-ylmethylamino)propanamide

N-cyclopropyl-3-(2,3-dihydro-1H-inden-5-ylmethylamino)propanamide (PubChem CID 79036237) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-cyclopropyl-3-(2,3-dihydro-1H-inden-5-ylmethylamino)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(2,3-dihydro-1H-inden-5-ylmethylamino)propanamide
PubChem CID79036237
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-cyclopropyl-3-(2,3-dihydro-1H-inden-5-ylmethylamino)propanamide
SMILESO=C(CCNCc1ccc2c(c1)CCC2)NC1CC1
InChIInChI=1S/C16H22N2O/c19-16(18-15-6-7-15)8-9-17-11-12-4-5-13-2-1-3-14(13)10-12/h4-5,10,15,17H,1-3,6-9,11H2,(H,18,19)
InChIKeyNVQXMOIQTYISQK-UHFFFAOYSA-N
XLogP1.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-2-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 8623360
N-cyclopentyl-3-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanamide
CID 60569006
N-cyclopropyl-3-[(4-methylphenyl)methylamino]propanamide
CID 55090993
N-cyclopentyl-3-[(4-fluorophenyl)methylamino]propanamide
CID 109013440
N-[2-(2,3-dihydro-1H-inden-5-ylmethylamino)ethyl]cyclopropanecarboxamide
CID 115629535
N-cyclopentyl-3-[(3-methylphenyl)methylamino]propanamide
CID 109013435
3-[(3-bromo-4-methoxyphenyl)methylamino]-N-cyclopropylpropanamide
CID 78977857
N-cyclopropyl-3-[(4-nitrophenyl)methylamino]propanamide
CID 62316575
N-cyclohexyl-3-[(3-methylphenyl)methylamino]propanamide
CID 109013960
cis-(1R,3S)-3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 106320641
3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66030527
N-cyclopropyl-3-(furan-3-ylmethylamino)propanamide
CID 78921552

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(2,3-dihydro-1H-inden-5-ylmethylamino)propanamide?
The IUPAC name of N-cyclopropyl-3-(2,3-dihydro-1H-inden-5-ylmethylamino)propanamide (CID 79036237) is N-cyclopropyl-3-(2,3-dihydro-1H-inden-5-ylmethylamino)propanamide.
What is the SMILES notation for N-cyclopropyl-3-(2,3-dihydro-1H-inden-5-ylmethylamino)propanamide?
The canonical SMILES for N-cyclopropyl-3-(2,3-dihydro-1H-inden-5-ylmethylamino)propanamide is O=C(CCNCc1ccc2c(c1)CCC2)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-(2,3-dihydro-1H-inden-5-ylmethylamino)propanamide?
The InChIKey is NVQXMOIQTYISQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c19-16(18-15-6-7-15)8-9-17-11-12-4-5-13-2-1-3-14(13)10-12/h4-5,10,15,17H,1-3,6-9,11H2,(H,18,19).
What are the key properties of N-cyclopropyl-3-(2,3-dihydro-1H-inden-5-ylmethylamino)propanamide?
N-cyclopropyl-3-(2,3-dihydro-1H-inden-5-ylmethylamino)propanamide has a molecular weight of 258.36 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(2,3-dihydro-1H-inden-5-ylmethylamino)propanamide is sourced from PubChem (CID 79036237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).