N-(3-hydroxypropyl)prop-2-enamide

C12H22N2O4 — CID 87194577

IUPACN-(3-hydroxypropyl)prop-2-enamide
SMILESC=CC(=O)NCCCO.C=CC(=O)NCCCO
InChIInChI=1S/2C6H11NO2/c2*1-2-6(9)7-4-3-5-8/h2*2,8H,1,3-5H2,(H,7,9)
InChIKeyMCTHPDXZWQROSE-UHFFFAOYSA-N
MW258.32 g/mol
LogP-0.66
Rot. Bonds8

About N-(3-hydroxypropyl)prop-2-enamide

N-(3-hydroxypropyl)prop-2-enamide (PubChem CID 87194577) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(3-hydroxypropyl)prop-2-enamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)prop-2-enamide
PubChem CID87194577
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC NameN-(3-hydroxypropyl)prop-2-enamide
SMILESC=CC(=O)NCCCO.C=CC(=O)NCCCO
InChIInChI=1S/2C6H11NO2/c2*1-2-6(9)7-4-3-5-8/h2*2,8H,1,3-5H2,(H,7,9)
InChIKeyMCTHPDXZWQROSE-UHFFFAOYSA-N
XLogP-0.66
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-0.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(prop-2-enoylamino)butyl]prop-2-enamide
CID 11542941
N-[12-(prop-2-enoylamino)dodecyl]prop-2-enamide;N-[9-(prop-2-enoylamino)nonyl]prop-2-enamide
CID 159527537
N-[3-(2-hydroxyethoxy)propyl]prop-2-enamide
CID 106305722
4-(prop-2-enoylamino)butanamide
CID 60864661
N-[3-[3-(prop-2-enoylamino)propoxy]propyl]prop-2-enamide
CID 58402359
N-butylprop-2-enamide;hydrofluoride
CID 174533496
N-heptadecylprop-2-enamide
CID 20727742
N-[3-[4-[3-(prop-2-enoylamino)propoxy]butoxy]propyl]prop-2-enamide
CID 11522493
N-(4-aminobutyl)prop-2-enamide;hydrochloride
CID 19429106
N-[3-[bis(2-hydroxyethoxy)amino]propyl]prop-2-enamide
CID 87923177
N-[3-[di(propan-2-yl)amino]propyl]prop-2-enamide
CID 87733946
N-[3-(prop-2-enoylamino)propyl]propanamide
CID 45119504

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)prop-2-enamide?
The IUPAC name of N-(3-hydroxypropyl)prop-2-enamide (CID 87194577) is N-(3-hydroxypropyl)prop-2-enamide.
What is the SMILES notation for N-(3-hydroxypropyl)prop-2-enamide?
The canonical SMILES for N-(3-hydroxypropyl)prop-2-enamide is C=CC(=O)NCCCO.C=CC(=O)NCCCO.
What is the InChIKey of N-(3-hydroxypropyl)prop-2-enamide?
The InChIKey is MCTHPDXZWQROSE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H11NO2/c2*1-2-6(9)7-4-3-5-8/h2*2,8H,1,3-5H2,(H,7,9).
What are the key properties of N-(3-hydroxypropyl)prop-2-enamide?
N-(3-hydroxypropyl)prop-2-enamide has a molecular weight of 258.32 g/mol, XLogP of -0.66, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)prop-2-enamide is sourced from PubChem (CID 87194577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).