2-[[4-[(carbamoylamino)methyl]benzoyl]amino]-N-prop-2-enylbenzamide

C19H20N4O3 — CID 34746020

IUPAC2-[[4-[(carbamoylamino)methyl]benzoyl]amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)c1ccc(CNC(N)=O)cc1
InChIInChI=1S/C19H20N4O3/c1-2-11-21-18(25)15-5-3-4-6-16(15)23-17(24)14-9-7-13(8-10-14)12-22-19(20)26/h2-10H,1,11-12H2,(H,21,25)(H,23,24)(H3,20,22,26)
InChIKeyPRQPGPUOEFXMJJ-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.02
Rot. Bonds7

About 2-[[4-[(carbamoylamino)methyl]benzoyl]amino]-N-prop-2-enylbenzamide

2-[[4-[(carbamoylamino)methyl]benzoyl]amino]-N-prop-2-enylbenzamide (PubChem CID 34746020) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-[[4-[(carbamoylamino)methyl]benzoyl]amino]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-[[4-[(carbamoylamino)methyl]benzoyl]amino]-N-prop-2-enylbenzamide
PubChem CID34746020
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name2-[[4-[(carbamoylamino)methyl]benzoyl]amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)c1ccc(CNC(N)=O)cc1
InChIInChI=1S/C19H20N4O3/c1-2-11-21-18(25)15-5-3-4-6-16(15)23-17(24)14-9-7-13(8-10-14)12-22-19(20)26/h2-10H,1,11-12H2,(H,21,25)(H,23,24)(H3,20,22,26)
InChIKeyPRQPGPUOEFXMJJ-UHFFFAOYSA-N
XLogP2.02
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-[(carbamoylamino)methyl]benzoyl]amino]-N,N-diethylbenzamide
CID 86835479
N-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-2-carboxamide
CID 9245587
N-benzyl-2-[(4-prop-2-enoxybenzoyl)amino]benzamide
CID 4945203
2-[[4-(2-methoxyethoxy)benzoyl]amino]-N-prop-2-enylbenzamide
CID 17353533
N-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-1-carboxamide
CID 2174448
2-[(3-fluorobenzoyl)amino]-N-prop-2-enylbenzamide
CID 6461650
6-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 18158456
N-benzyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 895615
2-[(2-phenylacetyl)amino]-N-prop-2-enylbenzamide
CID 3915249
N-benzyl-2-[(4-bromobenzoyl)amino]benzamide
CID 17256451
2-[[2-(4-bromophenyl)acetyl]amino]-N-prop-2-enylbenzamide
CID 26706664
4-N-(2-chlorophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043565

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(carbamoylamino)methyl]benzoyl]amino]-N-prop-2-enylbenzamide?
The IUPAC name of 2-[[4-[(carbamoylamino)methyl]benzoyl]amino]-N-prop-2-enylbenzamide (CID 34746020) is 2-[[4-[(carbamoylamino)methyl]benzoyl]amino]-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-[[4-[(carbamoylamino)methyl]benzoyl]amino]-N-prop-2-enylbenzamide?
The canonical SMILES for 2-[[4-[(carbamoylamino)methyl]benzoyl]amino]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccccc1NC(=O)c1ccc(CNC(N)=O)cc1.
What is the InChIKey of 2-[[4-[(carbamoylamino)methyl]benzoyl]amino]-N-prop-2-enylbenzamide?
The InChIKey is PRQPGPUOEFXMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-2-11-21-18(25)15-5-3-4-6-16(15)23-17(24)14-9-7-13(8-10-14)12-22-19(20)26/h2-10H,1,11-12H2,(H,21,25)(H,23,24)(H3,20,22,26).
What are the key properties of 2-[[4-[(carbamoylamino)methyl]benzoyl]amino]-N-prop-2-enylbenzamide?
2-[[4-[(carbamoylamino)methyl]benzoyl]amino]-N-prop-2-enylbenzamide has a molecular weight of 352.39 g/mol, XLogP of 2.02, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(carbamoylamino)methyl]benzoyl]amino]-N-prop-2-enylbenzamide is sourced from PubChem (CID 34746020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).