1-(adamantane-1-carbonyl)-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide

C19H31N3O2 — CID 119503305

IUPAC1-(adamantane-1-carbonyl)-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide
SMILESCNCCNC(=O)C1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H31N3O2/c1-20-4-5-21-17(23)16-3-2-6-22(16)18(24)19-10-13-7-14(11-19)9-15(8-13)12-19/h13-16,20H,2-12H2,1H3,(H,21,23)
InChIKeyONYDDBMJIVLUJL-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.53
Rot. Bonds5

About 1-(adamantane-1-carbonyl)-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide

1-(adamantane-1-carbonyl)-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide (PubChem CID 119503305) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 1-(adamantane-1-carbonyl)-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(adamantane-1-carbonyl)-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide
PubChem CID119503305
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name1-(adamantane-1-carbonyl)-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide
SMILESCNCCNC(=O)C1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H31N3O2/c1-20-4-5-21-17(23)16-3-2-6-22(16)18(24)19-10-13-7-14(11-19)9-15(8-13)12-19/h13-16,20H,2-12H2,1H3,(H,21,23)
InChIKeyONYDDBMJIVLUJL-UHFFFAOYSA-N
XLogP1.53
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(adamantane-1-carbonyl)-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119508361
1-(adamantane-1-carbonyl)-N-[3-(cyclopentylamino)-3-oxopropyl]pyrrolidine-2-carboxamide
CID 60569039
1-(adamantane-1-carbonyl)-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide
CID 119537044
1-(adamantane-1-carbonyl)-N-[2-(4-chlorophenoxy)ethyl]pyrrolidine-2-carboxamide
CID 55372770
1-(adamantane-1-carbonyl)-N-(pyrrolidin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 119513584
1-(adamantane-1-carbonyl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-2-carboxamide
CID 55600339
methyl (2S)-1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate
CID 7439326
1-(adamantane-1-carbonyl)-N-piperidin-4-ylpyrrolidine-2-carboxamide
CID 119389342
(2R)-1-(adamantane-1-carbonyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]pyrrolidine-2-carboxamide
CID 94630193
(2S)-1-(adamantane-1-carbonyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 33106317
1-(adamantane-1-carbonyl)-N-[(4-methylsulfonylphenyl)methyl]pyrrolidine-2-carboxamide
CID 55962552
1-(adamantane-1-carbonyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 136576835

Frequently Asked Questions

What is the IUPAC name of 1-(adamantane-1-carbonyl)-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(adamantane-1-carbonyl)-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide (CID 119503305) is 1-(adamantane-1-carbonyl)-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(adamantane-1-carbonyl)-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(adamantane-1-carbonyl)-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide is CNCCNC(=O)C1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(adamantane-1-carbonyl)-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is ONYDDBMJIVLUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-20-4-5-21-17(23)16-3-2-6-22(16)18(24)19-10-13-7-14(11-19)9-15(8-13)12-19/h13-16,20H,2-12H2,1H3,(H,21,23).
What are the key properties of 1-(adamantane-1-carbonyl)-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide?
1-(adamantane-1-carbonyl)-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 333.48 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(adamantane-1-carbonyl)-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119503305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).