N-[[1-(hydroxymethyl)cyclopentyl]methyl]adamantane-1-carboxamide

C18H29NO2 — CID 110642345

IUPACN-[[1-(hydroxymethyl)cyclopentyl]methyl]adamantane-1-carboxamide
SMILESO=C(NCC1(CO)CCCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H29NO2/c20-12-17(3-1-2-4-17)11-19-16(21)18-8-13-5-14(9-18)7-15(6-13)10-18/h13-15,20H,1-12H2,(H,19,21)
InChIKeyUPZKIZFJKSJFAS-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.87
Rot. Bonds4

About N-[[1-(hydroxymethyl)cyclopentyl]methyl]adamantane-1-carboxamide

N-[[1-(hydroxymethyl)cyclopentyl]methyl]adamantane-1-carboxamide (PubChem CID 110642345) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopentyl]methyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopentyl]methyl]adamantane-1-carboxamide
PubChem CID110642345
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-[[1-(hydroxymethyl)cyclopentyl]methyl]adamantane-1-carboxamide
SMILESO=C(NCC1(CO)CCCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H29NO2/c20-12-17(3-1-2-4-17)11-19-16(21)18-8-13-5-14(9-18)7-15(6-13)10-18/h13-15,20H,1-12H2,(H,19,21)
InChIKeyUPZKIZFJKSJFAS-UHFFFAOYSA-N
XLogP2.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(hydroxymethyl)cyclopentyl]adamantane-1-carboxamide
CID 62518725
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3,5-dimethyladamantane-1-carboxamide
CID 80718925
[1-(hydroxymethyl)cyclopentyl]methylcarbamic acid
CID 66597374
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]adamantane-1-carboxamide;hydrochloride
CID 120890604
N-[(2R)-2-hydroxypropyl]adamantane-1-carboxamide
CID 7106778
N-[2-(dimethylamino)ethyl]adamantane-1-carboxamide
CID 3041449
1-(aminomethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]cycloheptane-1-carboxamide
CID 103966787
N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]adamantane-1-carboxamide
CID 97042620
methyl 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]acetate
CID 115359540
ethane;N-[[1-(hydroxymethyl)cyclobutyl]methyl]propanamide
CID 171523205
N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]adamantane-1-carboxamide
CID 41412201
7-(adamantane-1-carbonylamino)heptanoic acid
CID 71700197

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopentyl]methyl]adamantane-1-carboxamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopentyl]methyl]adamantane-1-carboxamide (CID 110642345) is N-[[1-(hydroxymethyl)cyclopentyl]methyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopentyl]methyl]adamantane-1-carboxamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopentyl]methyl]adamantane-1-carboxamide is O=C(NCC1(CO)CCCC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopentyl]methyl]adamantane-1-carboxamide?
The InChIKey is UPZKIZFJKSJFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c20-12-17(3-1-2-4-17)11-19-16(21)18-8-13-5-14(9-18)7-15(6-13)10-18/h13-15,20H,1-12H2,(H,19,21).
What are the key properties of N-[[1-(hydroxymethyl)cyclopentyl]methyl]adamantane-1-carboxamide?
N-[[1-(hydroxymethyl)cyclopentyl]methyl]adamantane-1-carboxamide has a molecular weight of 291.44 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopentyl]methyl]adamantane-1-carboxamide is sourced from PubChem (CID 110642345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).