(Z)-N-(3-hydroxybutyl)-3,4,4-trimethylpent-2-enamide

C12H23NO2 — CID 111470217

IUPAC(Z)-N-(3-hydroxybutyl)-3,4,4-trimethylpent-2-enamide
SMILESC/C(=C/C(=O)NCCC(C)O)C(C)(C)C
InChIInChI=1S/C12H23NO2/c1-9(12(3,4)5)8-11(15)13-7-6-10(2)14/h8,10,14H,6-7H2,1-5H3,(H,13,15)/b9-8-
InChIKeySAVMFURXDVRHDU-HJWRWDBZSA-N
MW213.32 g/mol
LogP1.87
Rot. Bonds4

About (Z)-N-(3-hydroxybutyl)-3,4,4-trimethylpent-2-enamide

(Z)-N-(3-hydroxybutyl)-3,4,4-trimethylpent-2-enamide (PubChem CID 111470217) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is (Z)-N-(3-hydroxybutyl)-3,4,4-trimethylpent-2-enamide.

Molecular Properties

Compound Name(Z)-N-(3-hydroxybutyl)-3,4,4-trimethylpent-2-enamide
PubChem CID111470217
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name(Z)-N-(3-hydroxybutyl)-3,4,4-trimethylpent-2-enamide
SMILESC/C(=C/C(=O)NCCC(C)O)C(C)(C)C
InChIInChI=1S/C12H23NO2/c1-9(12(3,4)5)8-11(15)13-7-6-10(2)14/h8,10,14H,6-7H2,1-5H3,(H,13,15)/b9-8-
InChIKeySAVMFURXDVRHDU-HJWRWDBZSA-N
XLogP1.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-hydroxybutyl)-2-iodo-2-methylpropanamide
CID 89235197
(Z)-N-(2-ethyl-2-hydroxybutyl)-3,4,4-trimethylpent-2-enamide
CID 111485934
N-[(3R)-3-hydroxybutyl]prop-2-ynamide
CID 130636793
3-amino-N-[(3S)-3-hydroxybutyl]propanamide
CID 86323935
(E)-N-(3-hydroxybutyl)-3-(3-methoxyphenyl)but-2-enamide
CID 111911961
5-(2-hydroxypropylamino)-2,2-dimethylhex-4-en-3-one
CID 72589795
5-bromo-N-(3-hydroxybutyl)pentanamide
CID 107910185
5-amino-N-(3-hydroxybutyl)hexanamide
CID 82852052
(E)-3-(4-aminophenyl)-N-(3-hydroxybutyl)prop-2-enamide
CID 115344348
3-(3-fluorophenyl)-N-(3-hydroxybutyl)prop-2-enamide
CID 77037539
1,1-diethyl-3-(3-hydroxybutyl)urea
CID 79161473
3-[4-chloro-3-(trifluoromethyl)phenyl]-N-(3-hydroxybutyl)prop-2-enamide
CID 111429005

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(3-hydroxybutyl)-3,4,4-trimethylpent-2-enamide?
The IUPAC name of (Z)-N-(3-hydroxybutyl)-3,4,4-trimethylpent-2-enamide (CID 111470217) is (Z)-N-(3-hydroxybutyl)-3,4,4-trimethylpent-2-enamide.
What is the SMILES notation for (Z)-N-(3-hydroxybutyl)-3,4,4-trimethylpent-2-enamide?
The canonical SMILES for (Z)-N-(3-hydroxybutyl)-3,4,4-trimethylpent-2-enamide is C/C(=C/C(=O)NCCC(C)O)C(C)(C)C.
What is the InChIKey of (Z)-N-(3-hydroxybutyl)-3,4,4-trimethylpent-2-enamide?
The InChIKey is SAVMFURXDVRHDU-HJWRWDBZSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9(12(3,4)5)8-11(15)13-7-6-10(2)14/h8,10,14H,6-7H2,1-5H3,(H,13,15)/b9-8-.
What are the key properties of (Z)-N-(3-hydroxybutyl)-3,4,4-trimethylpent-2-enamide?
(Z)-N-(3-hydroxybutyl)-3,4,4-trimethylpent-2-enamide has a molecular weight of 213.32 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(3-hydroxybutyl)-3,4,4-trimethylpent-2-enamide is sourced from PubChem (CID 111470217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).