1-(hydroxymethyl)-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)cyclopropane-1-carboxamide

C16H21NO2 — CID 115182209

IUPAC1-(hydroxymethyl)-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1ccc2c(c1)CCCC2)C1(CO)CC1
InChIInChI=1S/C16H21NO2/c18-11-16(7-8-16)15(19)17-10-12-5-6-13-3-1-2-4-14(13)9-12/h5-6,9,18H,1-4,7-8,10-11H2,(H,17,19)
InChIKeyYENHXDUHHJRHPL-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.95
Rot. Bonds4

About 1-(hydroxymethyl)-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)cyclopropane-1-carboxamide

1-(hydroxymethyl)-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 115182209) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-(hydroxymethyl)-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(hydroxymethyl)-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)cyclopropane-1-carboxamide
PubChem CID115182209
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name1-(hydroxymethyl)-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1ccc2c(c1)CCCC2)C1(CO)CC1
InChIInChI=1S/C16H21NO2/c18-11-16(7-8-16)15(19)17-10-12-5-6-13-3-1-2-4-14(13)9-12/h5-6,9,18H,1-4,7-8,10-11H2,(H,17,19)
InChIKeyYENHXDUHHJRHPL-UHFFFAOYSA-N
XLogP1.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromophenyl)methyl]-1-(hydroxymethyl)cyclobutane-1-carboxamide
CID 115184081
1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]cyclobutane-1-carboxylic acid
CID 115246507
2-amino-3-hydroxy-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)propanamide
CID 115179814
2-methyl-3-oxo-3-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)propanoic acid
CID 115164248
1-(hydroxymethyl)-N-[(4-propylphenyl)methyl]cyclobutane-1-carboxamide
CID 115184056
1-(hydroxymethyl)-N-[(4-propan-2-ylphenyl)methyl]cyclobutane-1-carboxamide
CID 115184042
1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propylurea
CID 110774865
2-(methylamino)-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)acetamide
CID 82495806
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(hydroxymethyl)oxetane-3-carboxamide
CID 115185352
1-(hydroxymethyl)-N-[(4-methylsulfanylphenyl)methyl]cyclobutane-1-carboxamide
CID 115184071
1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)cyclopentane-1-carboxylic acid
CID 82300658
1-(hydroxymethyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclopropane-1-carboxamide
CID 115182270

Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(hydroxymethyl)-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)cyclopropane-1-carboxamide (CID 115182209) is 1-(hydroxymethyl)-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(hydroxymethyl)-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(hydroxymethyl)-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)cyclopropane-1-carboxamide is O=C(NCc1ccc2c(c1)CCCC2)C1(CO)CC1.
What is the InChIKey of 1-(hydroxymethyl)-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is YENHXDUHHJRHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c18-11-16(7-8-16)15(19)17-10-12-5-6-13-3-1-2-4-14(13)9-12/h5-6,9,18H,1-4,7-8,10-11H2,(H,17,19).
What are the key properties of 1-(hydroxymethyl)-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)cyclopropane-1-carboxamide?
1-(hydroxymethyl)-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 115182209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).