N-[(3-hydroxypyrrolidin-3-yl)methyl]-3-methyladamantane-1-carboxamide

C17H28N2O2 — CID 114760837

IUPACN-[(3-hydroxypyrrolidin-3-yl)methyl]-3-methyladamantane-1-carboxamide
SMILESCC12CC3CC(C1)CC(C(=O)NCC1(O)CCNC1)(C3)C2
InChIInChI=1S/C17H28N2O2/c1-15-5-12-4-13(6-15)8-16(7-12,9-15)14(20)19-11-17(21)2-3-18-10-17/h12-13,18,21H,2-11H2,1H3,(H,19,20)
InChIKeyYNCSXNDGZMTHCX-UHFFFAOYSA-N
MW292.42 g/mol
LogP1.43
Rot. Bonds3

About N-[(3-hydroxypyrrolidin-3-yl)methyl]-3-methyladamantane-1-carboxamide

N-[(3-hydroxypyrrolidin-3-yl)methyl]-3-methyladamantane-1-carboxamide (PubChem CID 114760837) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-[(3-hydroxypyrrolidin-3-yl)methyl]-3-methyladamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxypyrrolidin-3-yl)methyl]-3-methyladamantane-1-carboxamide
PubChem CID114760837
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-[(3-hydroxypyrrolidin-3-yl)methyl]-3-methyladamantane-1-carboxamide
SMILESCC12CC3CC(C1)CC(C(=O)NCC1(O)CCNC1)(C3)C2
InChIInChI=1S/C17H28N2O2/c1-15-5-12-4-13(6-15)8-16(7-12,9-15)14(20)19-11-17(21)2-3-18-10-17/h12-13,18,21H,2-11H2,1H3,(H,19,20)
InChIKeyYNCSXNDGZMTHCX-UHFFFAOYSA-N
XLogP1.43
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]adamantane-1-carboxamide;hydrochloride
CID 120890604
N-(6-bromohexyl)-3-methyladamantane-1-carboxamide
CID 107847738
N-(2-hydroxy-4-methylpentyl)-3-methyladamantane-1-carboxamide
CID 107155296
N-[(3-hydroxyazetidin-3-yl)methyl]-3-methyl-5-phenyladamantane-1-carboxamide
CID 130269312
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(trifluoromethyl)adamantane-1-carboxamide;hydrochloride
CID 120891376
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3,5-dimethyladamantane-1-carboxamide
CID 80718925
3-[(3-hydroxypyrrolidin-3-yl)methyl]-1,1-dimethylurea
CID 114760994
2-cyclopentyl-N-[(3-hydroxypyrrolidin-3-yl)methyl]acetamide
CID 114760691
2-cyclobutyl-N-[(3-hydroxypyrrolidin-3-yl)methyl]acetamide
CID 103162273
N-[(2R)-1-hydroxypropan-2-yl]-3-methyladamantane-1-carboxamide
CID 113402760
3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]adamantane-1-carboxamide
CID 104972040
3-methyl-N-(2-pyrrolidin-2-ylethyl)adamantane-1-carboxamide
CID 114793932

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxypyrrolidin-3-yl)methyl]-3-methyladamantane-1-carboxamide?
The IUPAC name of N-[(3-hydroxypyrrolidin-3-yl)methyl]-3-methyladamantane-1-carboxamide (CID 114760837) is N-[(3-hydroxypyrrolidin-3-yl)methyl]-3-methyladamantane-1-carboxamide.
What is the SMILES notation for N-[(3-hydroxypyrrolidin-3-yl)methyl]-3-methyladamantane-1-carboxamide?
The canonical SMILES for N-[(3-hydroxypyrrolidin-3-yl)methyl]-3-methyladamantane-1-carboxamide is CC12CC3CC(C1)CC(C(=O)NCC1(O)CCNC1)(C3)C2.
What is the InChIKey of N-[(3-hydroxypyrrolidin-3-yl)methyl]-3-methyladamantane-1-carboxamide?
The InChIKey is YNCSXNDGZMTHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-15-5-12-4-13(6-15)8-16(7-12,9-15)14(20)19-11-17(21)2-3-18-10-17/h12-13,18,21H,2-11H2,1H3,(H,19,20).
What are the key properties of N-[(3-hydroxypyrrolidin-3-yl)methyl]-3-methyladamantane-1-carboxamide?
N-[(3-hydroxypyrrolidin-3-yl)methyl]-3-methyladamantane-1-carboxamide has a molecular weight of 292.42 g/mol, XLogP of 1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxypyrrolidin-3-yl)methyl]-3-methyladamantane-1-carboxamide is sourced from PubChem (CID 114760837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).