4-(cyclopropylmethoxy)-N-[6-(hydroxymethyl)naphthalen-2-yl]benzamide

C22H21NO3 — CID 58111737

IUPAC4-(cyclopropylmethoxy)-N-[6-(hydroxymethyl)naphthalen-2-yl]benzamide
SMILESO=C(Nc1ccc2cc(CO)ccc2c1)c1ccc(OCC2CC2)cc1
InChIInChI=1S/C22H21NO3/c24-13-16-3-4-19-12-20(8-5-18(19)11-16)23-22(25)17-6-9-21(10-7-17)26-14-15-1-2-15/h3-12,15,24H,1-2,13-14H2,(H,23,25)
InChIKeyGFOMTFKJKATLOC-UHFFFAOYSA-N
MW347.41 g/mol
LogP4.37
Rot. Bonds6

About 4-(cyclopropylmethoxy)-N-[6-(hydroxymethyl)naphthalen-2-yl]benzamide

4-(cyclopropylmethoxy)-N-[6-(hydroxymethyl)naphthalen-2-yl]benzamide (PubChem CID 58111737) has the molecular formula C22H21NO3 and a molecular weight of 347.41 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-N-[6-(hydroxymethyl)naphthalen-2-yl]benzamide.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-N-[6-(hydroxymethyl)naphthalen-2-yl]benzamide
PubChem CID58111737
Molecular FormulaC22H21NO3
Molecular Weight347.41 g/mol
Exact Mass347.15
IUPAC Name4-(cyclopropylmethoxy)-N-[6-(hydroxymethyl)naphthalen-2-yl]benzamide
SMILESO=C(Nc1ccc2cc(CO)ccc2c1)c1ccc(OCC2CC2)cc1
InChIInChI=1S/C22H21NO3/c24-13-16-3-4-19-12-20(8-5-18(19)11-16)23-22(25)17-6-9-21(10-7-17)26-14-15-1-2-15/h3-12,15,24H,1-2,13-14H2,(H,23,25)
InChIKeyGFOMTFKJKATLOC-UHFFFAOYSA-N
XLogP4.37
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-[4-(cyclopropylmethoxy)phenyl]benzamide
CID 119325256
4-[[4-(cyclopropylmethoxy)benzoyl]amino]benzamide
CID 60571619
4-[(carbamoylamino)methyl]-N-[4-(cyclopropylmethoxy)phenyl]benzamide
CID 75371278
4-(cyclopropylmethoxy)-N-[4-(dimethylamino)-3-methylphenyl]benzamide
CID 60571631
4-(cyclopropylmethoxy)-N-[4-[3-(dimethylamino)propoxy]phenyl]benzamide
CID 86898305
4-(cyclopropylmethoxy)-N-(6-formyl-5-methyl-7,8-dihydronaphthalen-2-yl)benzamide
CID 58111716
4-(cyclopropylmethoxy)-N-[6-[[(1,1-dioxothian-4-yl)-(2-nitrophenyl)sulfonylamino]methyl]naphthalen-2-yl]benzamide
CID 66846186
ethyl 5-amino-1-methylindole-2-carboxylate;ethyl 5-[[4-(cyclopropylmethoxy)benzoyl]amino]-1-methylindole-2-carboxylate
CID 161003594
4-(cyclopropylmethoxy)-N-ethylbenzamide
CID 60572461
2-[4-[[4-(cyclopropylmethoxy)phenyl]carbamoyl]-2-ethoxyphenoxy]acetic acid
CID 119185306
4-(cyclopropylmethoxy)-N-[4-[[(2R)-2-methylmorpholin-2-yl]methyl]phenyl]benzamide
CID 129168486
2-[[4-(cyclopropylmethoxy)benzoyl]amino]acetic acid
CID 66812671

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-N-[6-(hydroxymethyl)naphthalen-2-yl]benzamide?
The IUPAC name of 4-(cyclopropylmethoxy)-N-[6-(hydroxymethyl)naphthalen-2-yl]benzamide (CID 58111737) is 4-(cyclopropylmethoxy)-N-[6-(hydroxymethyl)naphthalen-2-yl]benzamide.
What is the SMILES notation for 4-(cyclopropylmethoxy)-N-[6-(hydroxymethyl)naphthalen-2-yl]benzamide?
The canonical SMILES for 4-(cyclopropylmethoxy)-N-[6-(hydroxymethyl)naphthalen-2-yl]benzamide is O=C(Nc1ccc2cc(CO)ccc2c1)c1ccc(OCC2CC2)cc1.
What is the InChIKey of 4-(cyclopropylmethoxy)-N-[6-(hydroxymethyl)naphthalen-2-yl]benzamide?
The InChIKey is GFOMTFKJKATLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO3/c24-13-16-3-4-19-12-20(8-5-18(19)11-16)23-22(25)17-6-9-21(10-7-17)26-14-15-1-2-15/h3-12,15,24H,1-2,13-14H2,(H,23,25).
What are the key properties of 4-(cyclopropylmethoxy)-N-[6-(hydroxymethyl)naphthalen-2-yl]benzamide?
4-(cyclopropylmethoxy)-N-[6-(hydroxymethyl)naphthalen-2-yl]benzamide has a molecular weight of 347.41 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-N-[6-(hydroxymethyl)naphthalen-2-yl]benzamide is sourced from PubChem (CID 58111737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).