2-(1-hydroxyethyl)-N,N-di(propan-2-yl)undec-10-enamide

C19H37NO2 — CID 15877649

IUPAC2-(1-hydroxyethyl)-N,N-di(propan-2-yl)undec-10-enamide
SMILESC=CCCCCCCCC(C(=O)N(C(C)C)C(C)C)C(C)O
InChIInChI=1S/C19H37NO2/c1-7-8-9-10-11-12-13-14-18(17(6)21)19(22)20(15(2)3)16(4)5/h7,15-18,21H,1,8-14H2,2-6H3
InChIKeyIFTJQMGYJXSSEK-UHFFFAOYSA-N
MW311.51 g/mol
LogP4.55
Rot. Bonds12

About 2-(1-hydroxyethyl)-N,N-di(propan-2-yl)undec-10-enamide

2-(1-hydroxyethyl)-N,N-di(propan-2-yl)undec-10-enamide (PubChem CID 15877649) has the molecular formula C19H37NO2 and a molecular weight of 311.51 g/mol. Its IUPAC name is 2-(1-hydroxyethyl)-N,N-di(propan-2-yl)undec-10-enamide.

Molecular Properties

Compound Name2-(1-hydroxyethyl)-N,N-di(propan-2-yl)undec-10-enamide
PubChem CID15877649
Molecular FormulaC19H37NO2
Molecular Weight311.51 g/mol
Exact Mass311.28
IUPAC Name2-(1-hydroxyethyl)-N,N-di(propan-2-yl)undec-10-enamide
SMILESC=CCCCCCCCC(C(=O)N(C(C)C)C(C)C)C(C)O
InChIInChI=1S/C19H37NO2/c1-7-8-9-10-11-12-13-14-18(17(6)21)19(22)20(15(2)3)16(4)5/h7,15-18,21H,1,8-14H2,2-6H3
InChIKeyIFTJQMGYJXSSEK-UHFFFAOYSA-N
XLogP4.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.51
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-(4-hydroxycyclohexyl)-N-(4-methylpent-1-en-3-yl)-N-(3,3,3-trifluoropropyl)propanamide
CID 176686317
N,N-di-methyl-3-hydroxy-2-hexyl-4-pentenamide
CID 14815151
erythro-N,N-dimethyl-3-hydroxy-2-methyl-2-hexyl-4-pentenamide
CID 14815154
3-hydroxy-4,6-dimethyl-N-(3-methylpentan-2-yl)-N-propan-2-yloctanamide
CID 54419909
actinium;(2S)-2-[(2R)-1-hydroxy-2-methylpent-4-enyl]-1-methyl-azacyclotridecan-3-one
CID 59084203
(Z)-2-(1-hydroxyethyl)-N,N-dimethyloctadec-9-enamide;hydrochloride
CID 174990439
(2S,3S)-2-butyl-N,N-diethyl-3-hydroxynonanamide
CID 10755586
N,N-diethyl-2-(1-hydroxyethyl)undec-10-enamide
CID 10945964
(2S)-2-[(2R)-1-hydroxy-2-methylpent-4-enyl]-1-methyl-azacyclotridecan-3-one
CID 59084204
(2S,3R)-2-butyl-N,N-diethyl-3-hydroxynonanamide
CID 131850924
1-[(4R)-4-hydroxy-2-methylpyrrolidin-1-yl]-3,5-dimethylnon-8-en-1-one
CID 144470530
(Z)-2-(1-hydroxyethyl)-N,N-dimethyloctadec-9-enamide
CID 174990440

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxyethyl)-N,N-di(propan-2-yl)undec-10-enamide?
The IUPAC name of 2-(1-hydroxyethyl)-N,N-di(propan-2-yl)undec-10-enamide (CID 15877649) is 2-(1-hydroxyethyl)-N,N-di(propan-2-yl)undec-10-enamide.
What is the SMILES notation for 2-(1-hydroxyethyl)-N,N-di(propan-2-yl)undec-10-enamide?
The canonical SMILES for 2-(1-hydroxyethyl)-N,N-di(propan-2-yl)undec-10-enamide is C=CCCCCCCCC(C(=O)N(C(C)C)C(C)C)C(C)O.
What is the InChIKey of 2-(1-hydroxyethyl)-N,N-di(propan-2-yl)undec-10-enamide?
The InChIKey is IFTJQMGYJXSSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO2/c1-7-8-9-10-11-12-13-14-18(17(6)21)19(22)20(15(2)3)16(4)5/h7,15-18,21H,1,8-14H2,2-6H3.
What are the key properties of 2-(1-hydroxyethyl)-N,N-di(propan-2-yl)undec-10-enamide?
2-(1-hydroxyethyl)-N,N-di(propan-2-yl)undec-10-enamide has a molecular weight of 311.51 g/mol, XLogP of 4.55, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxyethyl)-N,N-di(propan-2-yl)undec-10-enamide is sourced from PubChem (CID 15877649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).