N-(4-propan-2-yloxybutyl)-1-(2-propan-2-yloxyhexanoyl)pyrrolidine-2-carboxamide

C21H40N2O4 — CID 76662636

IUPACN-(4-propan-2-yloxybutyl)-1-(2-propan-2-yloxyhexanoyl)pyrrolidine-2-carboxamide
SMILESCCCCC(OC(C)C)C(=O)N1CCCC1C(=O)NCCCCOC(C)C
InChIInChI=1S/C21H40N2O4/c1-6-7-12-19(27-17(4)5)21(25)23-14-10-11-18(23)20(24)22-13-8-9-15-26-16(2)3/h16-19H,6-15H2,1-5H3,(H,22,24)
InChIKeyOFDNZRQOTOWTPE-UHFFFAOYSA-N
MW384.56 g/mol
LogP3.28
Rot. Bonds13

About N-(4-propan-2-yloxybutyl)-1-(2-propan-2-yloxyhexanoyl)pyrrolidine-2-carboxamide

N-(4-propan-2-yloxybutyl)-1-(2-propan-2-yloxyhexanoyl)pyrrolidine-2-carboxamide (PubChem CID 76662636) has the molecular formula C21H40N2O4 and a molecular weight of 384.56 g/mol. Its IUPAC name is N-(4-propan-2-yloxybutyl)-1-(2-propan-2-yloxyhexanoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-propan-2-yloxybutyl)-1-(2-propan-2-yloxyhexanoyl)pyrrolidine-2-carboxamide
PubChem CID76662636
Molecular FormulaC21H40N2O4
Molecular Weight384.56 g/mol
Exact Mass384.30
IUPAC NameN-(4-propan-2-yloxybutyl)-1-(2-propan-2-yloxyhexanoyl)pyrrolidine-2-carboxamide
SMILESCCCCC(OC(C)C)C(=O)N1CCCC1C(=O)NCCCCOC(C)C
InChIInChI=1S/C21H40N2O4/c1-6-7-12-19(27-17(4)5)21(25)23-14-10-11-18(23)20(24)22-13-8-9-15-26-16(2)3/h16-19H,6-15H2,1-5H3,(H,22,24)
InChIKeyOFDNZRQOTOWTPE-UHFFFAOYSA-N
XLogP3.28
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.56
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminobutanoyl)-N-butylpyrrolidine-2-carboxamide
CID 22451228
(2S)-1-[(2S)-2-[(1S)-1-fluoro-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-pentylpyrrolidine-2-carboxamide
CID 23520297
2-(dodecylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 67813916
1-N,2-N-dibutylpyrrolidine-1,2-dicarboxamide
CID 150722678
4-[(2S)-2-(heptylcarbamoyl)pyrrolidin-1-yl]-4-oxobutanoic acid
CID 177401616
(2S)-1-(2-amino-2-methylpropanoyl)-N-butylpyrrolidine-2-carboxamide
CID 11658913
N-[2,3-di(tetradecoxy)propyl]-1-prop-1-en-2-ylpyrrolidine-2-carboxamide
CID 142283948
2-[2-(dodecylcarbamoyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid
CID 67813627
N-[6-oxo-5-[(1-tetradecanoylpyrrolidine-2-carbonyl)amino]heptyl]-1-tetradecanoylpyrrolidine-2-carboxamide
CID 152904698
(2S)-1-[(2S)-2-(cyclopropanecarbonylamino)propanoyl]-N-[(2S)-1-(dodecylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
CID 102375699
N-(3-aminopropyl)-1-nonanoylpyrrolidine-2-carboxamide
CID 23503481
1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]-N-(3-propan-2-yloxypropyl)pyrrolidine-2-carboxamide
CID 3787269

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-yloxybutyl)-1-(2-propan-2-yloxyhexanoyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(4-propan-2-yloxybutyl)-1-(2-propan-2-yloxyhexanoyl)pyrrolidine-2-carboxamide (CID 76662636) is N-(4-propan-2-yloxybutyl)-1-(2-propan-2-yloxyhexanoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-propan-2-yloxybutyl)-1-(2-propan-2-yloxyhexanoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-propan-2-yloxybutyl)-1-(2-propan-2-yloxyhexanoyl)pyrrolidine-2-carboxamide is CCCCC(OC(C)C)C(=O)N1CCCC1C(=O)NCCCCOC(C)C.
What is the InChIKey of N-(4-propan-2-yloxybutyl)-1-(2-propan-2-yloxyhexanoyl)pyrrolidine-2-carboxamide?
The InChIKey is OFDNZRQOTOWTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N2O4/c1-6-7-12-19(27-17(4)5)21(25)23-14-10-11-18(23)20(24)22-13-8-9-15-26-16(2)3/h16-19H,6-15H2,1-5H3,(H,22,24).
What are the key properties of N-(4-propan-2-yloxybutyl)-1-(2-propan-2-yloxyhexanoyl)pyrrolidine-2-carboxamide?
N-(4-propan-2-yloxybutyl)-1-(2-propan-2-yloxyhexanoyl)pyrrolidine-2-carboxamide has a molecular weight of 384.56 g/mol, XLogP of 3.28, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-yloxybutyl)-1-(2-propan-2-yloxyhexanoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 76662636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).