N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3,5-dimethyladamantane-1-carboxamide

C18H29NO2 — CID 80718925

IUPACN-[[1-(hydroxymethyl)cyclopropyl]methyl]-3,5-dimethyladamantane-1-carboxamide
SMILESCC12CC3CC(C)(C1)CC(C(=O)NCC1(CO)CC1)(C3)C2
InChIInChI=1S/C18H29NO2/c1-15-5-13-6-16(2,8-15)10-18(7-13,9-15)14(21)19-11-17(12-20)3-4-17/h13,20H,3-12H2,1-2H3,(H,19,21)
InChIKeyVNEKVPVHTMBXCT-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.87
Rot. Bonds4

About N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3,5-dimethyladamantane-1-carboxamide

N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3,5-dimethyladamantane-1-carboxamide (PubChem CID 80718925) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3,5-dimethyladamantane-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-3,5-dimethyladamantane-1-carboxamide
PubChem CID80718925
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-3,5-dimethyladamantane-1-carboxamide
SMILESCC12CC3CC(C)(C1)CC(C(=O)NCC1(CO)CC1)(C3)C2
InChIInChI=1S/C18H29NO2/c1-15-5-13-6-16(2,8-15)10-18(7-13,9-15)14(21)19-11-17(12-20)3-4-17/h13,20H,3-12H2,1-2H3,(H,19,21)
InChIKeyVNEKVPVHTMBXCT-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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Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3,5-dimethyladamantane-1-carboxamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3,5-dimethyladamantane-1-carboxamide (CID 80718925) is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3,5-dimethyladamantane-1-carboxamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3,5-dimethyladamantane-1-carboxamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3,5-dimethyladamantane-1-carboxamide is CC12CC3CC(C)(C1)CC(C(=O)NCC1(CO)CC1)(C3)C2.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3,5-dimethyladamantane-1-carboxamide?
The InChIKey is VNEKVPVHTMBXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-15-5-13-6-16(2,8-15)10-18(7-13,9-15)14(21)19-11-17(12-20)3-4-17/h13,20H,3-12H2,1-2H3,(H,19,21).
What are the key properties of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3,5-dimethyladamantane-1-carboxamide?
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3,5-dimethyladamantane-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)cyclopropyl]methyl]-3,5-dimethyladamantane-1-carboxamide is sourced from PubChem (CID 80718925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).