N-[3-[2-hydroxyethyl(prop-2-enyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide

C13H24N2O3 — CID 115775603

IUPACN-[3-[2-hydroxyethyl(prop-2-enyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide
SMILESC=CCN(CCO)C(=O)CCNC(=O)C(C)(C)C
InChIInChI=1S/C13H24N2O3/c1-5-8-15(9-10-16)11(17)6-7-14-12(18)13(2,3)4/h5,16H,1,6-10H2,2-4H3,(H,14,18)
InChIKeyPBVNQSRSPQQAGM-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.55
Rot. Bonds7

About N-[3-[2-hydroxyethyl(prop-2-enyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide

N-[3-[2-hydroxyethyl(prop-2-enyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide (PubChem CID 115775603) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[3-[2-hydroxyethyl(prop-2-enyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[2-hydroxyethyl(prop-2-enyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide
PubChem CID115775603
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC NameN-[3-[2-hydroxyethyl(prop-2-enyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide
SMILESC=CCN(CCO)C(=O)CCNC(=O)C(C)(C)C
InChIInChI=1S/C13H24N2O3/c1-5-8-15(9-10-16)11(17)6-7-14-12(18)13(2,3)4/h5,16H,1,6-10H2,2-4H3,(H,14,18)
InChIKeyPBVNQSRSPQQAGM-UHFFFAOYSA-N
XLogP0.55
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[bis(2-hydroxyethyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 61234331
N-(2-hydroxyethyl)-N-prop-2-enylpent-4-enamide
CID 115775480
3-ethoxy-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide
CID 115775879
2,2-dimethyl-N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]propanamide
CID 113065214
4-ethoxy-N-(2-hydroxyethyl)-N-prop-2-enylbutanamide
CID 115775753
N-(2-hydroxyethyl)-N-prop-2-enylacetamide
CID 84572947
N-(2-hydroxyethyl)-2,2-dimethylpropanamide
CID 15074197
N-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 60742338
2-ethoxy-N-(2-hydroxyethyl)-N-prop-2-enylacetamide
CID 115775668
3-(tert-butylamino)-N-(2-hydroxyethyl)-N-propylpropanamide
CID 60945491
2-cyano-N-(2-hydroxyethyl)-2-methyl-N-prop-2-enylpropanamide
CID 115776126
4-tert-butyl-N-[3-[ethyl(2-hydroxyethyl)amino]-3-oxopropyl]benzamide
CID 78796540

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-hydroxyethyl(prop-2-enyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[2-hydroxyethyl(prop-2-enyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide (CID 115775603) is N-[3-[2-hydroxyethyl(prop-2-enyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[2-hydroxyethyl(prop-2-enyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[2-hydroxyethyl(prop-2-enyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide is C=CCN(CCO)C(=O)CCNC(=O)C(C)(C)C.
What is the InChIKey of N-[3-[2-hydroxyethyl(prop-2-enyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide?
The InChIKey is PBVNQSRSPQQAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-5-8-15(9-10-16)11(17)6-7-14-12(18)13(2,3)4/h5,16H,1,6-10H2,2-4H3,(H,14,18).
What are the key properties of N-[3-[2-hydroxyethyl(prop-2-enyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide?
N-[3-[2-hydroxyethyl(prop-2-enyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide has a molecular weight of 256.35 g/mol, XLogP of 0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-hydroxyethyl(prop-2-enyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 115775603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).