4-(carbamoylamino)-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide

C13H17N3O3 — CID 115776053

IUPAC4-(carbamoylamino)-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
SMILESC=CCN(CCO)C(=O)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C13H17N3O3/c1-2-7-16(8-9-17)12(18)10-3-5-11(6-4-10)15-13(14)19/h2-6,17H,1,7-9H2,(H3,14,15,19)
InChIKeyCSWBJLDSSPUUJB-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.80
Rot. Bonds6

About 4-(carbamoylamino)-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide

4-(carbamoylamino)-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide (PubChem CID 115776053) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-(carbamoylamino)-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-(carbamoylamino)-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
PubChem CID115776053
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name4-(carbamoylamino)-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
SMILESC=CCN(CCO)C(=O)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C13H17N3O3/c1-2-7-16(8-9-17)12(18)10-3-5-11(6-4-10)15-13(14)19/h2-6,17H,1,7-9H2,(H3,14,15,19)
InChIKeyCSWBJLDSSPUUJB-UHFFFAOYSA-N
XLogP0.80
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-4-iodo-N-prop-2-enylbenzamide
CID 115776140
4-(diethylamino)-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 115924108
4-ethyl-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 113340627
4-acetamido-N,N-bis(2-hydroxyethyl)benzamide
CID 60653074
1-(2-hydroxyethyl)-3-phenyl-1-prop-2-enylurea
CID 111423629
4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-N,N-bis(prop-2-enyl)benzamide
CID 119739183
3-[[4-[bis(prop-2-enyl)carbamoyl]phenyl]carbamoyl-methylamino]propanoic acid
CID 122077697
4-[(1-aminocyclopentanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide
CID 119298023
N-(2-hydroxyethyl)-3,5-dimethyl-N-prop-2-enylbenzamide
CID 113340642
1-(2-hydroxyethyl)-1-prop-2-enyl-3-[4-(trifluoromethyl)phenyl]urea
CID 115633231
N-(3-amino-3-sulfanylidenepropyl)-4-fluoro-N-prop-2-enylbenzamide
CID 82103833
N-(3-amino-3-sulfanylidenepropyl)-4-methyl-N-prop-2-enylbenzamide
CID 82103830

Frequently Asked Questions

What is the IUPAC name of 4-(carbamoylamino)-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide?
The IUPAC name of 4-(carbamoylamino)-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide (CID 115776053) is 4-(carbamoylamino)-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide.
What is the SMILES notation for 4-(carbamoylamino)-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide?
The canonical SMILES for 4-(carbamoylamino)-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide is C=CCN(CCO)C(=O)c1ccc(NC(N)=O)cc1.
What is the InChIKey of 4-(carbamoylamino)-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide?
The InChIKey is CSWBJLDSSPUUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-2-7-16(8-9-17)12(18)10-3-5-11(6-4-10)15-13(14)19/h2-6,17H,1,7-9H2,(H3,14,15,19).
What are the key properties of 4-(carbamoylamino)-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide?
4-(carbamoylamino)-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide has a molecular weight of 263.30 g/mol, XLogP of 0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(carbamoylamino)-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide is sourced from PubChem (CID 115776053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).