N-(2-hydroxy-2-methylpentyl)-2-(prop-2-enylamino)acetamide

C11H22N2O2 — CID 106292369

IUPACN-(2-hydroxy-2-methylpentyl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NCC(C)(O)CCC
InChIInChI=1S/C11H22N2O2/c1-4-6-11(3,15)9-13-10(14)8-12-7-5-2/h5,12,15H,2,4,6-9H2,1,3H3,(H,13,14)
InChIKeyAPCBCMOIBVCWAW-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.43
Rot. Bonds8

About N-(2-hydroxy-2-methylpentyl)-2-(prop-2-enylamino)acetamide

N-(2-hydroxy-2-methylpentyl)-2-(prop-2-enylamino)acetamide (PubChem CID 106292369) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpentyl)-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpentyl)-2-(prop-2-enylamino)acetamide
PubChem CID106292369
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN-(2-hydroxy-2-methylpentyl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NCC(C)(O)CCC
InChIInChI=1S/C11H22N2O2/c1-4-6-11(3,15)9-13-10(14)8-12-7-5-2/h5,12,15H,2,4,6-9H2,1,3H3,(H,13,14)
InChIKeyAPCBCMOIBVCWAW-UHFFFAOYSA-N
XLogP0.43
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

N-(3-hydroxy-2,2-dimethylpropyl)-2-(prop-2-enylamino)acetamide
CID 115360356
N-(cyclopropylmethyl)-2-[(2-hydroxy-2-methylpentyl)amino]acetamide
CID 106292896
N-prop-2-enyl-2-(propylamino)acetamide
CID 54819030
3-acetamido-N-(2-hydroxy-2-methylpentyl)propanamide
CID 103713019
N-(2-hydroxy-2-methylpentyl)-2-propoxyacetamide
CID 103713311
4-hydroxy-N-(2-hydroxy-2-methylpentyl)pentanamide
CID 106295714
3-amino-N-(2-hydroxy-2-methylpentyl)-4-methylpentanamide
CID 106292069
2-(ethylamino)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65106281
N-[3-(hydroxymethyl)pentan-3-yl]-2-(prop-2-enylamino)acetamide
CID 79278740
N-[2-(dimethylcarbamoylamino)ethyl]-2-(prop-2-enylamino)acetamide
CID 83110912
N-(2-hydroxy-4-methoxy-2-methylbutyl)pent-4-enamide
CID 103712530
3-(cyclopropylamino)-N-(2-hydroxy-2-methylpentyl)propanamide
CID 106292266

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpentyl)-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-(2-hydroxy-2-methylpentyl)-2-(prop-2-enylamino)acetamide (CID 106292369) is N-(2-hydroxy-2-methylpentyl)-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpentyl)-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-(2-hydroxy-2-methylpentyl)-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)NCC(C)(O)CCC.
What is the InChIKey of N-(2-hydroxy-2-methylpentyl)-2-(prop-2-enylamino)acetamide?
The InChIKey is APCBCMOIBVCWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-4-6-11(3,15)9-13-10(14)8-12-7-5-2/h5,12,15H,2,4,6-9H2,1,3H3,(H,13,14).
What are the key properties of N-(2-hydroxy-2-methylpentyl)-2-(prop-2-enylamino)acetamide?
N-(2-hydroxy-2-methylpentyl)-2-(prop-2-enylamino)acetamide has a molecular weight of 214.31 g/mol, XLogP of 0.43, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpentyl)-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 106292369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).