(2S)-N-[4-(dodecylamino)-4-oxobutyl]pyrrolidine-2-carboxamide

C21H41N3O2 — CID 67813298

IUPAC(2S)-N-[4-(dodecylamino)-4-oxobutyl]pyrrolidine-2-carboxamide
SMILESCCCCCCCCCCCCNC(=O)CCCNC(=O)[C@@H]1CCCN1
InChIInChI=1S/C21H41N3O2/c1-2-3-4-5-6-7-8-9-10-11-16-23-20(25)15-13-18-24-21(26)19-14-12-17-22-19/h19,22H,2-18H2,1H3,(H,23,25)(H,24,26)/t19-/m0/s1
InChIKeyMNMKCRHUEZEZAD-IBGZPJMESA-N
MW367.58 g/mol
LogP3.67
Rot. Bonds16

About (2S)-N-[4-(dodecylamino)-4-oxobutyl]pyrrolidine-2-carboxamide

(2S)-N-[4-(dodecylamino)-4-oxobutyl]pyrrolidine-2-carboxamide (PubChem CID 67813298) has the molecular formula C21H41N3O2 and a molecular weight of 367.58 g/mol. Its IUPAC name is (2S)-N-[4-(dodecylamino)-4-oxobutyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[4-(dodecylamino)-4-oxobutyl]pyrrolidine-2-carboxamide
PubChem CID67813298
Molecular FormulaC21H41N3O2
Molecular Weight367.58 g/mol
Exact Mass367.32
IUPAC Name(2S)-N-[4-(dodecylamino)-4-oxobutyl]pyrrolidine-2-carboxamide
SMILESCCCCCCCCCCCCNC(=O)CCCNC(=O)[C@@H]1CCCN1
InChIInChI=1S/C21H41N3O2/c1-2-3-4-5-6-7-8-9-10-11-16-23-20(25)15-13-18-24-21(26)19-14-12-17-22-19/h19,22H,2-18H2,1H3,(H,23,25)(H,24,26)/t19-/m0/s1
InChIKeyMNMKCRHUEZEZAD-IBGZPJMESA-N
XLogP3.67
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.58
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(dodecylamino)-4-oxobutyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[4-(dodecylamino)-4-oxobutyl]pyrrolidine-2-carboxamide (CID 67813298) is (2S)-N-[4-(dodecylamino)-4-oxobutyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[4-(dodecylamino)-4-oxobutyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[4-(dodecylamino)-4-oxobutyl]pyrrolidine-2-carboxamide is CCCCCCCCCCCCNC(=O)CCCNC(=O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-[4-(dodecylamino)-4-oxobutyl]pyrrolidine-2-carboxamide?
The InChIKey is MNMKCRHUEZEZAD-IBGZPJMESA-N. The full InChI is InChI=1S/C21H41N3O2/c1-2-3-4-5-6-7-8-9-10-11-16-23-20(25)15-13-18-24-21(26)19-14-12-17-22-19/h19,22H,2-18H2,1H3,(H,23,25)(H,24,26)/t19-/m0/s1.
What are the key properties of (2S)-N-[4-(dodecylamino)-4-oxobutyl]pyrrolidine-2-carboxamide?
(2S)-N-[4-(dodecylamino)-4-oxobutyl]pyrrolidine-2-carboxamide has a molecular weight of 367.58 g/mol, XLogP of 3.67, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(dodecylamino)-4-oxobutyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 67813298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).