3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]adamantane-1-carboxamide

C18H30N2O — CID 104972040

IUPAC3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]adamantane-1-carboxamide
SMILESCC12CC3CC(C1)CC(C(=O)NCC[C@H]1CCCN1)(C3)C2
InChIInChI=1S/C18H30N2O/c1-17-8-13-7-14(9-17)11-18(10-13,12-17)16(21)20-6-4-15-3-2-5-19-15/h13-15,19H,2-12H2,1H3,(H,20,21)/t13?,14?,15-,17?,18?/m1/s1
InChIKeyQXILZCSEGBBABD-SYQKBPBVSA-N
MW290.45 g/mol
LogP2.85
Rot. Bonds4

About 3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]adamantane-1-carboxamide

3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]adamantane-1-carboxamide (PubChem CID 104972040) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]adamantane-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]adamantane-1-carboxamide
PubChem CID104972040
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]adamantane-1-carboxamide
SMILESCC12CC3CC(C1)CC(C(=O)NCC[C@H]1CCCN1)(C3)C2
InChIInChI=1S/C18H30N2O/c1-17-8-13-7-14(9-17)11-18(10-13,12-17)16(21)20-6-4-15-3-2-5-19-15/h13-15,19H,2-12H2,1H3,(H,20,21)/t13?,14?,15-,17?,18?/m1/s1
InChIKeyQXILZCSEGBBABD-SYQKBPBVSA-N
XLogP2.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-(2-pyrrolidin-2-ylethyl)adamantane-1-carboxamide
CID 114793932
N-(pyrrolidin-2-ylmethyl)adamantane-1-carboxamide
CID 62541274
2,2-dimethyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]cyclopropane-1-carboxamide
CID 104954995
N-(6-bromohexyl)-3-methyladamantane-1-carboxamide
CID 107847738
1-ethyl-3-[2-[(2R)-pyrrolidin-2-yl]ethyl]urea
CID 104972281
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide
CID 104955188
1-(2-methylpropyl)-N-(2-pyrrolidin-2-ylethyl)cyclopentane-1-carboxamide
CID 114793919
2-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]butanamide
CID 104972087
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]butanamide
CID 104955184
N-[(3-hydroxypyrrolidin-3-yl)methyl]-3-methyladamantane-1-carboxamide
CID 114760837
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]cyclopentanecarboxamide
CID 104972065
2-methoxy-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide
CID 104955350

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]adamantane-1-carboxamide?
The IUPAC name of 3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]adamantane-1-carboxamide (CID 104972040) is 3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]adamantane-1-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]adamantane-1-carboxamide?
The canonical SMILES for 3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]adamantane-1-carboxamide is CC12CC3CC(C1)CC(C(=O)NCC[C@H]1CCCN1)(C3)C2.
What is the InChIKey of 3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]adamantane-1-carboxamide?
The InChIKey is QXILZCSEGBBABD-SYQKBPBVSA-N. The full InChI is InChI=1S/C18H30N2O/c1-17-8-13-7-14(9-17)11-18(10-13,12-17)16(21)20-6-4-15-3-2-5-19-15/h13-15,19H,2-12H2,1H3,(H,20,21)/t13?,14?,15-,17?,18?/m1/s1.
What are the key properties of 3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]adamantane-1-carboxamide?
3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]adamantane-1-carboxamide has a molecular weight of 290.45 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]adamantane-1-carboxamide is sourced from PubChem (CID 104972040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).