3-(cyclopropanecarbonylamino)-N-(2-hydroxypropyl)naphthalene-2-carboxamide

C18H20N2O3 — CID 110886656

IUPAC3-(cyclopropanecarbonylamino)-N-(2-hydroxypropyl)naphthalene-2-carboxamide
SMILESCC(O)CNC(=O)c1cc2ccccc2cc1NC(=O)C1CC1
InChIInChI=1S/C18H20N2O3/c1-11(21)10-19-18(23)15-8-13-4-2-3-5-14(13)9-16(15)20-17(22)12-6-7-12/h2-5,8-9,11-12,21H,6-7,10H2,1H3,(H,19,23)(H,20,22)
InChIKeyPSNSAUPFXPJWJU-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.30
Rot. Bonds5

About 3-(cyclopropanecarbonylamino)-N-(2-hydroxypropyl)naphthalene-2-carboxamide

3-(cyclopropanecarbonylamino)-N-(2-hydroxypropyl)naphthalene-2-carboxamide (PubChem CID 110886656) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-(cyclopropanecarbonylamino)-N-(2-hydroxypropyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-(cyclopropanecarbonylamino)-N-(2-hydroxypropyl)naphthalene-2-carboxamide
PubChem CID110886656
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name3-(cyclopropanecarbonylamino)-N-(2-hydroxypropyl)naphthalene-2-carboxamide
SMILESCC(O)CNC(=O)c1cc2ccccc2cc1NC(=O)C1CC1
InChIInChI=1S/C18H20N2O3/c1-11(21)10-19-18(23)15-8-13-4-2-3-5-14(13)9-16(15)20-17(22)12-6-7-12/h2-5,8-9,11-12,21H,6-7,10H2,1H3,(H,19,23)(H,20,22)
InChIKeyPSNSAUPFXPJWJU-UHFFFAOYSA-N
XLogP2.30
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonylamino)-N-(2-hydroxypropyl)naphthalene-2-carboxamide?
The IUPAC name of 3-(cyclopropanecarbonylamino)-N-(2-hydroxypropyl)naphthalene-2-carboxamide (CID 110886656) is 3-(cyclopropanecarbonylamino)-N-(2-hydroxypropyl)naphthalene-2-carboxamide.
What is the SMILES notation for 3-(cyclopropanecarbonylamino)-N-(2-hydroxypropyl)naphthalene-2-carboxamide?
The canonical SMILES for 3-(cyclopropanecarbonylamino)-N-(2-hydroxypropyl)naphthalene-2-carboxamide is CC(O)CNC(=O)c1cc2ccccc2cc1NC(=O)C1CC1.
What is the InChIKey of 3-(cyclopropanecarbonylamino)-N-(2-hydroxypropyl)naphthalene-2-carboxamide?
The InChIKey is PSNSAUPFXPJWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-11(21)10-19-18(23)15-8-13-4-2-3-5-14(13)9-16(15)20-17(22)12-6-7-12/h2-5,8-9,11-12,21H,6-7,10H2,1H3,(H,19,23)(H,20,22).
What are the key properties of 3-(cyclopropanecarbonylamino)-N-(2-hydroxypropyl)naphthalene-2-carboxamide?
3-(cyclopropanecarbonylamino)-N-(2-hydroxypropyl)naphthalene-2-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.30, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonylamino)-N-(2-hydroxypropyl)naphthalene-2-carboxamide is sourced from PubChem (CID 110886656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).