N-heptyl-N-(3-hydroxypropyl)-2-methylpyrrolidine-3-carboxamide

C16H32N2O2 — CID 79388298

IUPACN-heptyl-N-(3-hydroxypropyl)-2-methylpyrrolidine-3-carboxamide
SMILESCCCCCCCN(CCCO)C(=O)C1CCNC1C
InChIInChI=1S/C16H32N2O2/c1-3-4-5-6-7-11-18(12-8-13-19)16(20)15-9-10-17-14(15)2/h14-15,17,19H,3-13H2,1-2H3
InChIKeyNNMVMEGYMLVAMO-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.17
Rot. Bonds10

About N-heptyl-N-(3-hydroxypropyl)-2-methylpyrrolidine-3-carboxamide

N-heptyl-N-(3-hydroxypropyl)-2-methylpyrrolidine-3-carboxamide (PubChem CID 79388298) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is N-heptyl-N-(3-hydroxypropyl)-2-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-heptyl-N-(3-hydroxypropyl)-2-methylpyrrolidine-3-carboxamide
PubChem CID79388298
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC NameN-heptyl-N-(3-hydroxypropyl)-2-methylpyrrolidine-3-carboxamide
SMILESCCCCCCCN(CCCO)C(=O)C1CCNC1C
InChIInChI=1S/C16H32N2O2/c1-3-4-5-6-7-11-18(12-8-13-19)16(20)15-9-10-17-14(15)2/h14-15,17,19H,3-13H2,1-2H3
InChIKeyNNMVMEGYMLVAMO-UHFFFAOYSA-N
XLogP2.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.17
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

N-(2-hydroxyethyl)-2-methyl-N-pentan-3-ylpyrrolidine-3-carboxamide
CID 79388801
N-hexyl-N-(2-hydroxyethyl)piperidine-2-carboxamide
CID 54873129
N-butyl-N-(2-hydroxyethyl)-4-methylpiperidine-2-carboxamide
CID 114423393
trans-(1R,2R)-2-N,2-N-dihexadecylcyclohexane-1,2-dicarboxamide
CID 177421877
N-hexyl-N-(2-hydroxyethyl)azepane-2-carboxamide
CID 64561900
2-(dipentylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103978393
N,N-dihexylpiperidine-4-carboxamide
CID 60947458
(2S)-N,N-dipentylpyrrolidine-2-carboxamide
CID 61165096
N-cyclohexyl-N-(2-hydroxyethyl)-2-methylpyrrolidine-3-carboxamide
CID 79388366
(2R)-N,N-dipentylpiperidine-2-carboxamide
CID 93372342
N,N-dibutyl-3-methylpiperidine-2-carboxamide
CID 62339284
3-[ethyl-(2-methylpyrrolidine-3-carbonyl)amino]-2-methylpropanoic acid
CID 79385001

Frequently Asked Questions

What is the IUPAC name of N-heptyl-N-(3-hydroxypropyl)-2-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-heptyl-N-(3-hydroxypropyl)-2-methylpyrrolidine-3-carboxamide (CID 79388298) is N-heptyl-N-(3-hydroxypropyl)-2-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-heptyl-N-(3-hydroxypropyl)-2-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-heptyl-N-(3-hydroxypropyl)-2-methylpyrrolidine-3-carboxamide is CCCCCCCN(CCCO)C(=O)C1CCNC1C.
What is the InChIKey of N-heptyl-N-(3-hydroxypropyl)-2-methylpyrrolidine-3-carboxamide?
The InChIKey is NNMVMEGYMLVAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-3-4-5-6-7-11-18(12-8-13-19)16(20)15-9-10-17-14(15)2/h14-15,17,19H,3-13H2,1-2H3.
What are the key properties of N-heptyl-N-(3-hydroxypropyl)-2-methylpyrrolidine-3-carboxamide?
N-heptyl-N-(3-hydroxypropyl)-2-methylpyrrolidine-3-carboxamide has a molecular weight of 284.44 g/mol, XLogP of 2.17, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-N-(3-hydroxypropyl)-2-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 79388298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).