N-(3-cyclopropyl-3-hydroxypropyl)adamantane-1-carboxamide

C17H27NO2 — CID 71787459

IUPACN-(3-cyclopropyl-3-hydroxypropyl)adamantane-1-carboxamide
SMILESO=C(NCCC(O)C1CC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H27NO2/c19-15(14-1-2-14)3-4-18-16(20)17-8-11-5-12(9-17)7-13(6-11)10-17/h11-15,19H,1-10H2,(H,18,20)
InChIKeyVGVRWHPJYUCDLB-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.48
Rot. Bonds5

About N-(3-cyclopropyl-3-hydroxypropyl)adamantane-1-carboxamide

N-(3-cyclopropyl-3-hydroxypropyl)adamantane-1-carboxamide (PubChem CID 71787459) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(3-cyclopropyl-3-hydroxypropyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopropyl-3-hydroxypropyl)adamantane-1-carboxamide
PubChem CID71787459
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-(3-cyclopropyl-3-hydroxypropyl)adamantane-1-carboxamide
SMILESO=C(NCCC(O)C1CC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H27NO2/c19-15(14-1-2-14)3-4-18-16(20)17-8-11-5-12(9-17)7-13(6-11)10-17/h11-15,19H,1-10H2,(H,18,20)
InChIKeyVGVRWHPJYUCDLB-UHFFFAOYSA-N
XLogP2.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropyl-3-hydroxypropyl)adamantane-1-carboxamide?
The IUPAC name of N-(3-cyclopropyl-3-hydroxypropyl)adamantane-1-carboxamide (CID 71787459) is N-(3-cyclopropyl-3-hydroxypropyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(3-cyclopropyl-3-hydroxypropyl)adamantane-1-carboxamide?
The canonical SMILES for N-(3-cyclopropyl-3-hydroxypropyl)adamantane-1-carboxamide is O=C(NCCC(O)C1CC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(3-cyclopropyl-3-hydroxypropyl)adamantane-1-carboxamide?
The InChIKey is VGVRWHPJYUCDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c19-15(14-1-2-14)3-4-18-16(20)17-8-11-5-12(9-17)7-13(6-11)10-17/h11-15,19H,1-10H2,(H,18,20).
What are the key properties of N-(3-cyclopropyl-3-hydroxypropyl)adamantane-1-carboxamide?
N-(3-cyclopropyl-3-hydroxypropyl)adamantane-1-carboxamide has a molecular weight of 277.41 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropyl-3-hydroxypropyl)adamantane-1-carboxamide is sourced from PubChem (CID 71787459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).