4-[[[(3S)-hex-5-en-3-yl]carbamoylamino]methyl]-N-methylbenzamide

C16H23N3O2 — CID 100681192

IUPAC4-[[[(3S)-hex-5-en-3-yl]carbamoylamino]methyl]-N-methylbenzamide
SMILESC=CC[C@H](CC)NC(=O)NCc1ccc(C(=O)NC)cc1
InChIInChI=1S/C16H23N3O2/c1-4-6-14(5-2)19-16(21)18-11-12-7-9-13(10-8-12)15(20)17-3/h4,7-10,14H,1,5-6,11H2,2-3H3,(H,17,20)(H2,18,19,21)/t14-/m0/s1
InChIKeyIUMFCEMXTYFQLP-AWEZNQCLSA-N
MW289.38 g/mol
LogP2.20
Rot. Bonds7

About 4-[[[(3S)-hex-5-en-3-yl]carbamoylamino]methyl]-N-methylbenzamide

4-[[[(3S)-hex-5-en-3-yl]carbamoylamino]methyl]-N-methylbenzamide (PubChem CID 100681192) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-[[[(3S)-hex-5-en-3-yl]carbamoylamino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[[(3S)-hex-5-en-3-yl]carbamoylamino]methyl]-N-methylbenzamide
PubChem CID100681192
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name4-[[[(3S)-hex-5-en-3-yl]carbamoylamino]methyl]-N-methylbenzamide
SMILESC=CC[C@H](CC)NC(=O)NCc1ccc(C(=O)NC)cc1
InChIInChI=1S/C16H23N3O2/c1-4-6-14(5-2)19-16(21)18-11-12-7-9-13(10-8-12)15(20)17-3/h4,7-10,14H,1,5-6,11H2,2-3H3,(H,17,20)(H2,18,19,21)/t14-/m0/s1
InChIKeyIUMFCEMXTYFQLP-AWEZNQCLSA-N
XLogP2.20
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[[[(3S)-hex-5-en-3-yl]carbamoylamino]methyl]-N-methylbenzamide with MolForge

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Related Compounds

N-methyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 47116390
1-[(3S)-hex-5-en-3-yl]-3-[(5-methyl-3-pyridinyl)methyl]urea
CID 129432308
ethane;N-methyl-4-[(propanoylamino)methyl]benzamide
CID 145404666
4-[[[(2R)-1-hydroxybutan-2-yl]carbamoylamino]methyl]benzoic acid
CID 122020873
4-[[[(2S)-1-hydroxybutan-2-yl]carbamoylamino]methyl]benzoic acid
CID 122020693
ethyl 4-[(pentan-3-ylcarbamoylamino)methyl]benzoate
CID 108888411
1-pentan-3-yl-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 134001787
2-[(4-ethylphenyl)methylcarbamoylamino]pent-4-enoic acid
CID 106900498
1-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-[(3S)-hex-5-en-3-yl]urea
CID 129433350
N-ethyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 9207204
4-[(carbamoylamino)methyl]-N-methylbenzamide
CID 39969427
N-methyl-4-[[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]methyl]benzamide;hydroiodide
CID 110979602

Frequently Asked Questions

What is the IUPAC name of 4-[[[(3S)-hex-5-en-3-yl]carbamoylamino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[[(3S)-hex-5-en-3-yl]carbamoylamino]methyl]-N-methylbenzamide (CID 100681192) is 4-[[[(3S)-hex-5-en-3-yl]carbamoylamino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[[(3S)-hex-5-en-3-yl]carbamoylamino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[[(3S)-hex-5-en-3-yl]carbamoylamino]methyl]-N-methylbenzamide is C=CC[C@H](CC)NC(=O)NCc1ccc(C(=O)NC)cc1.
What is the InChIKey of 4-[[[(3S)-hex-5-en-3-yl]carbamoylamino]methyl]-N-methylbenzamide?
The InChIKey is IUMFCEMXTYFQLP-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-6-14(5-2)19-16(21)18-11-12-7-9-13(10-8-12)15(20)17-3/h4,7-10,14H,1,5-6,11H2,2-3H3,(H,17,20)(H2,18,19,21)/t14-/m0/s1.
What are the key properties of 4-[[[(3S)-hex-5-en-3-yl]carbamoylamino]methyl]-N-methylbenzamide?
4-[[[(3S)-hex-5-en-3-yl]carbamoylamino]methyl]-N-methylbenzamide has a molecular weight of 289.38 g/mol, XLogP of 2.20, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(3S)-hex-5-en-3-yl]carbamoylamino]methyl]-N-methylbenzamide is sourced from PubChem (CID 100681192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).