N-tert-butyl-2-(3-hydroxypropyl)naphthalene-1-carboxamide

C18H23NO2 — CID 10827015

IUPACN-tert-butyl-2-(3-hydroxypropyl)naphthalene-1-carboxamide
SMILESCC(C)(C)NC(=O)c1c(CCCO)ccc2ccccc12
InChIInChI=1S/C18H23NO2/c1-18(2,3)19-17(21)16-14(8-6-12-20)11-10-13-7-4-5-9-15(13)16/h4-5,7,9-11,20H,6,8,12H2,1-3H3,(H,19,21)
InChIKeyXDLOFAJJQWFJIL-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.29
Rot. Bonds4

About N-tert-butyl-2-(3-hydroxypropyl)naphthalene-1-carboxamide

N-tert-butyl-2-(3-hydroxypropyl)naphthalene-1-carboxamide (PubChem CID 10827015) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-tert-butyl-2-(3-hydroxypropyl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-(3-hydroxypropyl)naphthalene-1-carboxamide
PubChem CID10827015
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-tert-butyl-2-(3-hydroxypropyl)naphthalene-1-carboxamide
SMILESCC(C)(C)NC(=O)c1c(CCCO)ccc2ccccc12
InChIInChI=1S/C18H23NO2/c1-18(2,3)19-17(21)16-14(8-6-12-20)11-10-13-7-4-5-9-15(13)16/h4-5,7,9-11,20H,6,8,12H2,1-3H3,(H,19,21)
InChIKeyXDLOFAJJQWFJIL-UHFFFAOYSA-N
XLogP3.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(3-hydroxypropyl)naphthalene-1-carboxamide?
The IUPAC name of N-tert-butyl-2-(3-hydroxypropyl)naphthalene-1-carboxamide (CID 10827015) is N-tert-butyl-2-(3-hydroxypropyl)naphthalene-1-carboxamide.
What is the SMILES notation for N-tert-butyl-2-(3-hydroxypropyl)naphthalene-1-carboxamide?
The canonical SMILES for N-tert-butyl-2-(3-hydroxypropyl)naphthalene-1-carboxamide is CC(C)(C)NC(=O)c1c(CCCO)ccc2ccccc12.
What is the InChIKey of N-tert-butyl-2-(3-hydroxypropyl)naphthalene-1-carboxamide?
The InChIKey is XDLOFAJJQWFJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-18(2,3)19-17(21)16-14(8-6-12-20)11-10-13-7-4-5-9-15(13)16/h4-5,7,9-11,20H,6,8,12H2,1-3H3,(H,19,21).
What are the key properties of N-tert-butyl-2-(3-hydroxypropyl)naphthalene-1-carboxamide?
N-tert-butyl-2-(3-hydroxypropyl)naphthalene-1-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(3-hydroxypropyl)naphthalene-1-carboxamide is sourced from PubChem (CID 10827015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).