1-benzyl-N'-(2-naphthalen-2-yloxypropanoyl)pyrrolidine-2-carbohydrazide

C25H27N3O3 — CID 60578936

IUPAC1-benzyl-N'-(2-naphthalen-2-yloxypropanoyl)pyrrolidine-2-carbohydrazide
SMILESCC(Oc1ccc2ccccc2c1)C(=O)NNC(=O)C1CCCN1Cc1ccccc1
InChIInChI=1S/C25H27N3O3/c1-18(31-22-14-13-20-10-5-6-11-21(20)16-22)24(29)26-27-25(30)23-12-7-15-28(23)17-19-8-3-2-4-9-19/h2-6,8-11,13-14,16,18,23H,7,12,15,17H2,1H3,(H,26,29)(H,27,30)
InChIKeyKTQBXEUBVOPMNJ-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.42
Rot. Bonds6

About 1-benzyl-N'-(2-naphthalen-2-yloxypropanoyl)pyrrolidine-2-carbohydrazide

1-benzyl-N'-(2-naphthalen-2-yloxypropanoyl)pyrrolidine-2-carbohydrazide (PubChem CID 60578936) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 1-benzyl-N'-(2-naphthalen-2-yloxypropanoyl)pyrrolidine-2-carbohydrazide.

Molecular Properties

Compound Name1-benzyl-N'-(2-naphthalen-2-yloxypropanoyl)pyrrolidine-2-carbohydrazide
PubChem CID60578936
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name1-benzyl-N'-(2-naphthalen-2-yloxypropanoyl)pyrrolidine-2-carbohydrazide
SMILESCC(Oc1ccc2ccccc2c1)C(=O)NNC(=O)C1CCCN1Cc1ccccc1
InChIInChI=1S/C25H27N3O3/c1-18(31-22-14-13-20-10-5-6-11-21(20)16-22)24(29)26-27-25(30)23-12-7-15-28(23)17-19-8-3-2-4-9-19/h2-6,8-11,13-14,16,18,23H,7,12,15,17H2,1H3,(H,26,29)(H,27,30)
InChIKeyKTQBXEUBVOPMNJ-UHFFFAOYSA-N
XLogP3.42
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(2-naphthalen-2-yloxypropanoyl)cyclopropanecarbohydrazide
CID 4940181
(2R)-1-benzyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 35528693
ethyl N-[(1-benzylpyrrolidine-2-carbonyl)amino]carbamate
CID 60579128
(2S)-1-[[3-[[(2R)-2-phenoxypropanoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 124828194
1-benzyl-N-(1-hydroxypropan-2-yl)pyrrolidine-2-carboxamide
CID 110904280
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
1-benzyl-N-[2-(methylamino)propyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 120829939
1-[[(2S)-1-benzylpyrrolidine-2-carbonyl]amino]-3-phenylthiourea
CID 102344784
1-cyclohexyl-3-(2-naphthalen-2-yloxypropanoylamino)urea
CID 4940226
(2R)-2-naphthalen-2-yloxy-N'-propanoylpropanehydrazide
CID 8757548
(2S)-1-benzyl-N-butylpyrrolidine-2-carboxamide
CID 131848769
N-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]-2-phenylacetamide
CID 4940325

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N'-(2-naphthalen-2-yloxypropanoyl)pyrrolidine-2-carbohydrazide?
The IUPAC name of 1-benzyl-N'-(2-naphthalen-2-yloxypropanoyl)pyrrolidine-2-carbohydrazide (CID 60578936) is 1-benzyl-N'-(2-naphthalen-2-yloxypropanoyl)pyrrolidine-2-carbohydrazide.
What is the SMILES notation for 1-benzyl-N'-(2-naphthalen-2-yloxypropanoyl)pyrrolidine-2-carbohydrazide?
The canonical SMILES for 1-benzyl-N'-(2-naphthalen-2-yloxypropanoyl)pyrrolidine-2-carbohydrazide is CC(Oc1ccc2ccccc2c1)C(=O)NNC(=O)C1CCCN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N'-(2-naphthalen-2-yloxypropanoyl)pyrrolidine-2-carbohydrazide?
The InChIKey is KTQBXEUBVOPMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-18(31-22-14-13-20-10-5-6-11-21(20)16-22)24(29)26-27-25(30)23-12-7-15-28(23)17-19-8-3-2-4-9-19/h2-6,8-11,13-14,16,18,23H,7,12,15,17H2,1H3,(H,26,29)(H,27,30).
What are the key properties of 1-benzyl-N'-(2-naphthalen-2-yloxypropanoyl)pyrrolidine-2-carbohydrazide?
1-benzyl-N'-(2-naphthalen-2-yloxypropanoyl)pyrrolidine-2-carbohydrazide has a molecular weight of 417.51 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N'-(2-naphthalen-2-yloxypropanoyl)pyrrolidine-2-carbohydrazide is sourced from PubChem (CID 60578936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).