N-[2-(4,9-dimethoxy-2,3-dihydro-1H-phenalen-1-yl)ethyl]cyclopropanecarboxamide

C21H25NO3 — CID 10640828

IUPACN-[2-(4,9-dimethoxy-2,3-dihydro-1H-phenalen-1-yl)ethyl]cyclopropanecarboxamide
SMILESCOc1ccc2ccc(OC)c3c2c1CCC3CCNC(=O)C1CC1
InChIInChI=1S/C21H25NO3/c1-24-17-9-6-13-7-10-18(25-2)20-14(5-8-16(17)19(13)20)11-12-22-21(23)15-3-4-15/h6-7,9-10,14-15H,3-5,8,11-12H2,1-2H3,(H,22,23)
InChIKeyUAPZTVJWPDUSRR-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.80
Rot. Bonds6

About N-[2-(4,9-dimethoxy-2,3-dihydro-1H-phenalen-1-yl)ethyl]cyclopropanecarboxamide

N-[2-(4,9-dimethoxy-2,3-dihydro-1H-phenalen-1-yl)ethyl]cyclopropanecarboxamide (PubChem CID 10640828) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[2-(4,9-dimethoxy-2,3-dihydro-1H-phenalen-1-yl)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(4,9-dimethoxy-2,3-dihydro-1H-phenalen-1-yl)ethyl]cyclopropanecarboxamide
PubChem CID10640828
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC NameN-[2-(4,9-dimethoxy-2,3-dihydro-1H-phenalen-1-yl)ethyl]cyclopropanecarboxamide
SMILESCOc1ccc2ccc(OC)c3c2c1CCC3CCNC(=O)C1CC1
InChIInChI=1S/C21H25NO3/c1-24-17-9-6-13-7-10-18(25-2)20-14(5-8-16(17)19(13)20)11-12-22-21(23)15-3-4-15/h6-7,9-10,14-15H,3-5,8,11-12H2,1-2H3,(H,22,23)
InChIKeyUAPZTVJWPDUSRR-UHFFFAOYSA-N
XLogP3.80
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)ethyl]cyclopropanecarboxamide
CID 10637638
3-chloro-N-[2-(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)ethyl]benzamide
CID 18466097
N-[2-(cyclopropanecarbonylamino)ethyl]-3,4-dimethoxybenzamide
CID 32968765
N-[3-(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)propyl]pentanamide
CID 18466087
N-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopropanecarboxamide
CID 113101778
N-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxy-4-methylbenzamide
CID 47120108
N-[2-(cyclopropanecarbonylamino)ethyl]-3-ethoxy-4-methoxybenzamide
CID 51153110
N-[(4-phenylmethoxy-2,3-dihydro-1H-phenalen-1-yl)methyl]cyclopropanecarboxamide
CID 15859300
N-[2-(4-methoxyphenoxy)ethyl]cyclopropanecarboxamide
CID 8935452
N-[2-[1-(2-methoxy-5-methylphenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 115706375
4-butoxy-N-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxybenzamide
CID 51153166
(4R)-N-[2-(3,4-dimethoxyphenyl)ethyl]azepane-4-carboxamide
CID 125447240

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,9-dimethoxy-2,3-dihydro-1H-phenalen-1-yl)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(4,9-dimethoxy-2,3-dihydro-1H-phenalen-1-yl)ethyl]cyclopropanecarboxamide (CID 10640828) is N-[2-(4,9-dimethoxy-2,3-dihydro-1H-phenalen-1-yl)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(4,9-dimethoxy-2,3-dihydro-1H-phenalen-1-yl)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(4,9-dimethoxy-2,3-dihydro-1H-phenalen-1-yl)ethyl]cyclopropanecarboxamide is COc1ccc2ccc(OC)c3c2c1CCC3CCNC(=O)C1CC1.
What is the InChIKey of N-[2-(4,9-dimethoxy-2,3-dihydro-1H-phenalen-1-yl)ethyl]cyclopropanecarboxamide?
The InChIKey is UAPZTVJWPDUSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-24-17-9-6-13-7-10-18(25-2)20-14(5-8-16(17)19(13)20)11-12-22-21(23)15-3-4-15/h6-7,9-10,14-15H,3-5,8,11-12H2,1-2H3,(H,22,23).
What are the key properties of N-[2-(4,9-dimethoxy-2,3-dihydro-1H-phenalen-1-yl)ethyl]cyclopropanecarboxamide?
N-[2-(4,9-dimethoxy-2,3-dihydro-1H-phenalen-1-yl)ethyl]cyclopropanecarboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,9-dimethoxy-2,3-dihydro-1H-phenalen-1-yl)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 10640828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).