N-[3-(adamantane-1-carbonylamino)-2-hydroxypropyl]adamantane-1-carboxamide

C25H38N2O3 — CID 3071720

IUPACN-[3-(adamantane-1-carbonylamino)-2-hydroxypropyl]adamantane-1-carboxamide
SMILESO=C(NCC(O)CNC(=O)C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C25H38N2O3/c28-21(13-26-22(29)24-7-15-1-16(8-24)3-17(2-15)9-24)14-27-23(30)25-10-18-4-19(11-25)6-20(5-18)12-25/h15-21,28H,1-14H2,(H,26,29)(H,27,30)
InChIKeyOCWNJKXTVWVEMV-UHFFFAOYSA-N
MW414.59 g/mol
LogP3.01
Rot. Bonds6

About N-[3-(adamantane-1-carbonylamino)-2-hydroxypropyl]adamantane-1-carboxamide

N-[3-(adamantane-1-carbonylamino)-2-hydroxypropyl]adamantane-1-carboxamide (PubChem CID 3071720) has the molecular formula C25H38N2O3 and a molecular weight of 414.59 g/mol. Its IUPAC name is N-[3-(adamantane-1-carbonylamino)-2-hydroxypropyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(adamantane-1-carbonylamino)-2-hydroxypropyl]adamantane-1-carboxamide
PubChem CID3071720
Molecular FormulaC25H38N2O3
Molecular Weight414.59 g/mol
Exact Mass414.29
IUPAC NameN-[3-(adamantane-1-carbonylamino)-2-hydroxypropyl]adamantane-1-carboxamide
SMILESO=C(NCC(O)CNC(=O)C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C25H38N2O3/c28-21(13-26-22(29)24-7-15-1-16(8-24)3-17(2-15)9-24)14-27-23(30)25-10-18-4-19(11-25)6-20(5-18)12-25/h15-21,28H,1-14H2,(H,26,29)(H,27,30)
InChIKeyOCWNJKXTVWVEMV-UHFFFAOYSA-N
XLogP3.01
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.59
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-adamantyl)-N-(4-hydroxybutyl)acetamide
CID 106843602
Cyclohexanepropanamide, N,N'-(2-hydroxy-1,3-propanediyl)bis-
CID 3071719
N-(2-hydroxyethyl)adamantane-1-carboxamide
CID 1898785
N-(2-hydroxyethyl)-3,5,7-trimethyladamantane-1-carboxamide
CID 2836014
N-(2-Methoxyethyl)-2-[3-(2-methoxyethylcarbamoylmethyl)-1-adamantyl]acetamide
CID 2851476
N-(2-hydroxypropyl)adamantane-1-carboxamide
CID 2926775
N-(3-cyclopropyl-3-hydroxypropyl)adamantane-1-carboxamide
CID 71787459
N-[3-(adamantane-1-carbonylamino)propyl]adamantane-1-carboxamide
CID 335732
N,N'-bis(1-adamantylmethyl)adamantane-1,3-diyldiacetamide
CID 129746327
N-(3,3,3-trifluoro-2-hydroxypropyl)adamantane-1-carboxamide
CID 103723331
2-(1-adamantyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103726119
2-(1-adamantyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide
CID 103769948

Frequently Asked Questions

What is the IUPAC name of N-[3-(adamantane-1-carbonylamino)-2-hydroxypropyl]adamantane-1-carboxamide?
The IUPAC name of N-[3-(adamantane-1-carbonylamino)-2-hydroxypropyl]adamantane-1-carboxamide (CID 3071720) is N-[3-(adamantane-1-carbonylamino)-2-hydroxypropyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[3-(adamantane-1-carbonylamino)-2-hydroxypropyl]adamantane-1-carboxamide?
The canonical SMILES for N-[3-(adamantane-1-carbonylamino)-2-hydroxypropyl]adamantane-1-carboxamide is O=C(NCC(O)CNC(=O)C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[3-(adamantane-1-carbonylamino)-2-hydroxypropyl]adamantane-1-carboxamide?
The InChIKey is OCWNJKXTVWVEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N2O3/c28-21(13-26-22(29)24-7-15-1-16(8-24)3-17(2-15)9-24)14-27-23(30)25-10-18-4-19(11-25)6-20(5-18)12-25/h15-21,28H,1-14H2,(H,26,29)(H,27,30).
What are the key properties of N-[3-(adamantane-1-carbonylamino)-2-hydroxypropyl]adamantane-1-carboxamide?
N-[3-(adamantane-1-carbonylamino)-2-hydroxypropyl]adamantane-1-carboxamide has a molecular weight of 414.59 g/mol, XLogP of 3.01, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(adamantane-1-carbonylamino)-2-hydroxypropyl]adamantane-1-carboxamide is sourced from PubChem (CID 3071720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).