1-(adamantane-1-carbonyl)-N-[3-(cyclopentylamino)-3-oxopropyl]pyrrolidine-2-carboxamide

C24H37N3O3 — CID 60569039

IUPAC1-(adamantane-1-carbonyl)-N-[3-(cyclopentylamino)-3-oxopropyl]pyrrolidine-2-carboxamide
SMILESO=C(CCNC(=O)C1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)NC1CCCC1
InChIInChI=1S/C24H37N3O3/c28-21(26-19-4-1-2-5-19)7-8-25-22(29)20-6-3-9-27(20)23(30)24-13-16-10-17(14-24)12-18(11-16)15-24/h16-20H,1-15H2,(H,25,29)(H,26,28)
InChIKeyCOOIDSNXGVDBQA-UHFFFAOYSA-N
MW415.58 g/mol
LogP2.76
Rot. Bonds6

About 1-(adamantane-1-carbonyl)-N-[3-(cyclopentylamino)-3-oxopropyl]pyrrolidine-2-carboxamide

1-(adamantane-1-carbonyl)-N-[3-(cyclopentylamino)-3-oxopropyl]pyrrolidine-2-carboxamide (PubChem CID 60569039) has the molecular formula C24H37N3O3 and a molecular weight of 415.58 g/mol. Its IUPAC name is 1-(adamantane-1-carbonyl)-N-[3-(cyclopentylamino)-3-oxopropyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(adamantane-1-carbonyl)-N-[3-(cyclopentylamino)-3-oxopropyl]pyrrolidine-2-carboxamide
PubChem CID60569039
Molecular FormulaC24H37N3O3
Molecular Weight415.58 g/mol
Exact Mass415.28
IUPAC Name1-(adamantane-1-carbonyl)-N-[3-(cyclopentylamino)-3-oxopropyl]pyrrolidine-2-carboxamide
SMILESO=C(CCNC(=O)C1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)NC1CCCC1
InChIInChI=1S/C24H37N3O3/c28-21(26-19-4-1-2-5-19)7-8-25-22(29)20-6-3-9-27(20)23(30)24-13-16-10-17(14-24)12-18(11-16)15-24/h16-20H,1-15H2,(H,25,29)(H,26,28)
InChIKeyCOOIDSNXGVDBQA-UHFFFAOYSA-N
XLogP2.76
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.58
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(adamantane-1-carbonyl)-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide
CID 119503305
1-(adamantane-1-carbonyl)-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119508361
1-(adamantane-1-carbonyl)-N-piperidin-4-ylpyrrolidine-2-carboxamide
CID 119389342
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
(2R)-1-(adamantane-1-carbonyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]pyrrolidine-2-carboxamide
CID 94630193
methyl (2S)-1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate
CID 7439326
1-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]piperidine-2-carboxylic acid
CID 79401803
N-[3-(cyclohexylamino)-3-oxopropyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 55979331
(2S)-1-(adamantane-1-carbonyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 33106317

Frequently Asked Questions

What is the IUPAC name of 1-(adamantane-1-carbonyl)-N-[3-(cyclopentylamino)-3-oxopropyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(adamantane-1-carbonyl)-N-[3-(cyclopentylamino)-3-oxopropyl]pyrrolidine-2-carboxamide (CID 60569039) is 1-(adamantane-1-carbonyl)-N-[3-(cyclopentylamino)-3-oxopropyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(adamantane-1-carbonyl)-N-[3-(cyclopentylamino)-3-oxopropyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(adamantane-1-carbonyl)-N-[3-(cyclopentylamino)-3-oxopropyl]pyrrolidine-2-carboxamide is O=C(CCNC(=O)C1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)NC1CCCC1.
What is the InChIKey of 1-(adamantane-1-carbonyl)-N-[3-(cyclopentylamino)-3-oxopropyl]pyrrolidine-2-carboxamide?
The InChIKey is COOIDSNXGVDBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O3/c28-21(26-19-4-1-2-5-19)7-8-25-22(29)20-6-3-9-27(20)23(30)24-13-16-10-17(14-24)12-18(11-16)15-24/h16-20H,1-15H2,(H,25,29)(H,26,28).
What are the key properties of 1-(adamantane-1-carbonyl)-N-[3-(cyclopentylamino)-3-oxopropyl]pyrrolidine-2-carboxamide?
1-(adamantane-1-carbonyl)-N-[3-(cyclopentylamino)-3-oxopropyl]pyrrolidine-2-carboxamide has a molecular weight of 415.58 g/mol, XLogP of 2.76, 6 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-[3-(cyclopentylamino)-3-oxopropyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 60569039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).