N-[(4-phenylmethoxy-2,3-dihydro-1H-phenalen-1-yl)methyl]cyclopropanecarboxamide

C25H25NO2 — CID 15859300

IUPACN-[(4-phenylmethoxy-2,3-dihydro-1H-phenalen-1-yl)methyl]cyclopropanecarboxamide
SMILESO=C(NCC1CCc2c(OCc3ccccc3)ccc3cccc1c23)C1CC1
InChIInChI=1S/C25H25NO2/c27-25(19-9-10-19)26-15-20-11-13-22-23(28-16-17-5-2-1-3-6-17)14-12-18-7-4-8-21(20)24(18)22/h1-8,12,14,19-20H,9-11,13,15-16H2,(H,26,27)
InChIKeyQWAPKVYTCVJIBK-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.97
Rot. Bonds6

About N-[(4-phenylmethoxy-2,3-dihydro-1H-phenalen-1-yl)methyl]cyclopropanecarboxamide

N-[(4-phenylmethoxy-2,3-dihydro-1H-phenalen-1-yl)methyl]cyclopropanecarboxamide (PubChem CID 15859300) has the molecular formula C25H25NO2 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-[(4-phenylmethoxy-2,3-dihydro-1H-phenalen-1-yl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(4-phenylmethoxy-2,3-dihydro-1H-phenalen-1-yl)methyl]cyclopropanecarboxamide
PubChem CID15859300
Molecular FormulaC25H25NO2
Molecular Weight371.48 g/mol
Exact Mass371.19
IUPAC NameN-[(4-phenylmethoxy-2,3-dihydro-1H-phenalen-1-yl)methyl]cyclopropanecarboxamide
SMILESO=C(NCC1CCc2c(OCc3ccccc3)ccc3cccc1c23)C1CC1
InChIInChI=1S/C25H25NO2/c27-25(19-9-10-19)26-15-20-11-13-22-23(28-16-17-5-2-1-3-6-17)14-12-18-7-4-8-21(20)24(18)22/h1-8,12,14,19-20H,9-11,13,15-16H2,(H,26,27)
InChIKeyQWAPKVYTCVJIBK-UHFFFAOYSA-N
XLogP4.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]cyclopropanecarboxamide
CID 9325326
N-(3-phenylmethoxy-2-pyridinyl)cyclopropanecarboxamide
CID 3532731
N-[3-(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)propyl]pentanamide
CID 18466087
(5R,6R)-6-amino-5-hydroxy-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-1-carboxamide;hydrochloride
CID 13067471
3-chloro-N-[2-(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)ethyl]benzamide
CID 18466097
benzyl 2-(cyclopropanecarbonylamino)acetate
CID 26878245
N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-methoxy-4-phenylmethoxybenzamide
CID 86886993
N-[2-[[N-ethyl-N'-[(2-phenylmethoxyphenyl)methyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111927547
(3-chloro-4-phenylmethoxyphenyl)-cyclopropylmethanone
CID 82550709
benzyl N-[(6-ethynyl-2,3-dihydro-1H-inden-1-yl)methyl]carbamate
CID 87999035
2-(cyclopentylamino)-5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 13274742
N-(cyclopropylmethyl)-3-methoxy-4-phenylmethoxybenzamide
CID 34822397

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenylmethoxy-2,3-dihydro-1H-phenalen-1-yl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-[(4-phenylmethoxy-2,3-dihydro-1H-phenalen-1-yl)methyl]cyclopropanecarboxamide (CID 15859300) is N-[(4-phenylmethoxy-2,3-dihydro-1H-phenalen-1-yl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(4-phenylmethoxy-2,3-dihydro-1H-phenalen-1-yl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(4-phenylmethoxy-2,3-dihydro-1H-phenalen-1-yl)methyl]cyclopropanecarboxamide is O=C(NCC1CCc2c(OCc3ccccc3)ccc3cccc1c23)C1CC1.
What is the InChIKey of N-[(4-phenylmethoxy-2,3-dihydro-1H-phenalen-1-yl)methyl]cyclopropanecarboxamide?
The InChIKey is QWAPKVYTCVJIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO2/c27-25(19-9-10-19)26-15-20-11-13-22-23(28-16-17-5-2-1-3-6-17)14-12-18-7-4-8-21(20)24(18)22/h1-8,12,14,19-20H,9-11,13,15-16H2,(H,26,27).
What are the key properties of N-[(4-phenylmethoxy-2,3-dihydro-1H-phenalen-1-yl)methyl]cyclopropanecarboxamide?
N-[(4-phenylmethoxy-2,3-dihydro-1H-phenalen-1-yl)methyl]cyclopropanecarboxamide has a molecular weight of 371.48 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenylmethoxy-2,3-dihydro-1H-phenalen-1-yl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 15859300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).