4-hydroxy-N-(7-methyloctyl)pyrrolidine-2-carboxamide

C14H28N2O2 — CID 61275212

IUPAC4-hydroxy-N-(7-methyloctyl)pyrrolidine-2-carboxamide
SMILESCC(C)CCCCCCNC(=O)C1CC(O)CN1
InChIInChI=1S/C14H28N2O2/c1-11(2)7-5-3-4-6-8-15-14(18)13-9-12(17)10-16-13/h11-13,16-17H,3-10H2,1-2H3,(H,15,18)
InChIKeyRFHFVCGPLDDPLP-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.43
Rot. Bonds8

About 4-hydroxy-N-(7-methyloctyl)pyrrolidine-2-carboxamide

4-hydroxy-N-(7-methyloctyl)pyrrolidine-2-carboxamide (PubChem CID 61275212) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 4-hydroxy-N-(7-methyloctyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(7-methyloctyl)pyrrolidine-2-carboxamide
PubChem CID61275212
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name4-hydroxy-N-(7-methyloctyl)pyrrolidine-2-carboxamide
SMILESCC(C)CCCCCCNC(=O)C1CC(O)CN1
InChIInChI=1S/C14H28N2O2/c1-11(2)7-5-3-4-6-8-15-14(18)13-9-12(17)10-16-13/h11-13,16-17H,3-10H2,1-2H3,(H,15,18)
InChIKeyRFHFVCGPLDDPLP-UHFFFAOYSA-N
XLogP1.43
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.43
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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Related Compounds

4-hydroxy-N-octylpyrrolidine-2-carboxamide
CID 113337253
4-methoxy-N-(4-methylpentyl)pyrrolidine-2-carboxamide
CID 61215245
N-[4-(diethylamino)butyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119852549
(2R)-N-(7-methyloctyl)piperidine-2-carboxamide
CID 103807890
N-(7-methyloctyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119263597
(2R,4S)-N-ethyl-4-hydroxypyrrolidine-2-carboxamide
CID 28943534
(2S,4S)-N-[2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 28943524
N-[2-(cyclopropanecarbonylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 115738030
(2R,4R)-N-(2-aminoethyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 130652446
octan-2-yl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate
CID 64714614
tert-butyl N-[(2S)-1-[[(2S,4R)-4-hydroxypyrrolidine-2-carbonyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamate
CID 68854822
4-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-2-carboxamide
CID 43515171

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(7-methyloctyl)pyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-N-(7-methyloctyl)pyrrolidine-2-carboxamide (CID 61275212) is 4-hydroxy-N-(7-methyloctyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(7-methyloctyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-N-(7-methyloctyl)pyrrolidine-2-carboxamide is CC(C)CCCCCCNC(=O)C1CC(O)CN1.
What is the InChIKey of 4-hydroxy-N-(7-methyloctyl)pyrrolidine-2-carboxamide?
The InChIKey is RFHFVCGPLDDPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11(2)7-5-3-4-6-8-15-14(18)13-9-12(17)10-16-13/h11-13,16-17H,3-10H2,1-2H3,(H,15,18).
What are the key properties of 4-hydroxy-N-(7-methyloctyl)pyrrolidine-2-carboxamide?
4-hydroxy-N-(7-methyloctyl)pyrrolidine-2-carboxamide has a molecular weight of 256.39 g/mol, XLogP of 1.43, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(7-methyloctyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 61275212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).