N-methyl-3-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]benzamide

C14H19N3O2 — CID 47120773

IUPACN-methyl-3-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]benzamide
SMILESC=CCNC(=O)C(C)Nc1cccc(C(=O)NC)c1
InChIInChI=1S/C14H19N3O2/c1-4-8-16-13(18)10(2)17-12-7-5-6-11(9-12)14(19)15-3/h4-7,9-10,17H,1,8H2,2-3H3,(H,15,19)(H,16,18)
InChIKeyLSSOBKCMFOGCCQ-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.15
Rot. Bonds6

About N-methyl-3-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]benzamide

N-methyl-3-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]benzamide (PubChem CID 47120773) has the molecular formula C14H19N3O2 and a molecular weight of 261.33 g/mol. Its IUPAC name is N-methyl-3-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-3-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]benzamide
PubChem CID47120773
Molecular FormulaC14H19N3O2
Molecular Weight261.33 g/mol
Exact Mass261.15
IUPAC NameN-methyl-3-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]benzamide
SMILESC=CCNC(=O)C(C)Nc1cccc(C(=O)NC)c1
InChIInChI=1S/C14H19N3O2/c1-4-8-16-13(18)10(2)17-12-7-5-6-11(9-12)14(19)15-3/h4-7,9-10,17H,1,8H2,2-3H3,(H,15,19)(H,16,18)
InChIKeyLSSOBKCMFOGCCQ-UHFFFAOYSA-N
XLogP1.15
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.15
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-methyl-3-[[(2R)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl]amino]benzamide
CID 95302647
3-[[1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl]amino]-N-methylbenzamide
CID 18126658
3-[2-(3-iodoanilino)propanoylamino]-N-methylbenzamide
CID 112811069
3-[[1-(3-chloroanilino)-1-oxopropan-2-yl]amino]-N-methylbenzamide
CID 51167571
2-(4-bromoanilino)-N-prop-2-enylpropanamide
CID 43086744
2-(3-chloro-4-methoxyanilino)-N-prop-2-enylpropanamide
CID 43087357
(2R)-2-(4-ethylanilino)-N-prop-2-enylpropanamide
CID 28843279
3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]benzamide
CID 103603772
3-[[1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-methylbenzamide
CID 17485799
tert-butyl N-[2-[3-(methylcarbamoyl)anilino]propyl]carbamate
CID 103387419
3-[[1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl]amino]-N-methylbenzamide
CID 51243989
3-(propanoylamino)-N-prop-2-enylbenzamide
CID 47265411

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]benzamide?
The IUPAC name of N-methyl-3-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]benzamide (CID 47120773) is N-methyl-3-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]benzamide.
What is the SMILES notation for N-methyl-3-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]benzamide?
The canonical SMILES for N-methyl-3-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]benzamide is C=CCNC(=O)C(C)Nc1cccc(C(=O)NC)c1.
What is the InChIKey of N-methyl-3-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]benzamide?
The InChIKey is LSSOBKCMFOGCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-4-8-16-13(18)10(2)17-12-7-5-6-11(9-12)14(19)15-3/h4-7,9-10,17H,1,8H2,2-3H3,(H,15,19)(H,16,18).
What are the key properties of N-methyl-3-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]benzamide?
N-methyl-3-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]benzamide has a molecular weight of 261.33 g/mol, XLogP of 1.15, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]benzamide is sourced from PubChem (CID 47120773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).