4-[[4-[(E)-prop-1-enyl]benzoyl]amino]butyl (E)-2-methylbut-2-enoate

C19H25NO3 — CID 175229978

IUPAC4-[[4-[(E)-prop-1-enyl]benzoyl]amino]butyl (E)-2-methylbut-2-enoate
SMILESC/C=C/c1ccc(C(=O)NCCCCOC(=O)/C(C)=C/C)cc1
InChIInChI=1S/C19H25NO3/c1-4-8-16-9-11-17(12-10-16)18(21)20-13-6-7-14-23-19(22)15(3)5-2/h4-5,8-12H,6-7,13-14H2,1-3H3,(H,20,21)/b8-4+,15-5+
InChIKeyPLSLGQSKUWZOMV-WKHPCKQLSA-N
MW315.41 g/mol
LogP3.74
Rot. Bonds8

About 4-[[4-[(E)-prop-1-enyl]benzoyl]amino]butyl (E)-2-methylbut-2-enoate

4-[[4-[(E)-prop-1-enyl]benzoyl]amino]butyl (E)-2-methylbut-2-enoate (PubChem CID 175229978) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 4-[[4-[(E)-prop-1-enyl]benzoyl]amino]butyl (E)-2-methylbut-2-enoate.

Molecular Properties

Compound Name4-[[4-[(E)-prop-1-enyl]benzoyl]amino]butyl (E)-2-methylbut-2-enoate
PubChem CID175229978
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name4-[[4-[(E)-prop-1-enyl]benzoyl]amino]butyl (E)-2-methylbut-2-enoate
SMILESC/C=C/c1ccc(C(=O)NCCCCOC(=O)/C(C)=C/C)cc1
InChIInChI=1S/C19H25NO3/c1-4-8-16-9-11-17(12-10-16)18(21)20-13-6-7-14-23-19(22)15(3)5-2/h4-5,8-12H,6-7,13-14H2,1-3H3,(H,20,21)/b8-4+,15-5+
InChIKeyPLSLGQSKUWZOMV-WKHPCKQLSA-N
XLogP3.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-[[4-[(E)-prop-1-enyl]benzoyl]amino]butyl carbamate
CID 175229958
3-[(4-prop-1-enylbenzoyl)amino]propanoic acid
CID 91596650
N-(3-hydroxypropyl)-4-[2-[4-(3-hydroxypropylcarbamoyl)phenyl]ethenyl]benzamide
CID 71357848
4-methoxy-N-(4-methoxybutyl)benzamide
CID 110417955
4-amino-N-[5-(4-aminophenoxy)pentyl]benzamide
CID 3026991
6-[[4-(4-cyanophenyl)benzoyl]amino]hexyl 2-methylprop-2-enoate
CID 171768625
4-(tribromomethoxy)-N-[7-[[4-(tribromomethoxy)benzoyl]amino]heptyl]benzamide
CID 21452884
3-[[4-(chloromethyl)benzoyl]amino]propyl acetate
CID 135152215
1-methoxy-4-[(E)-prop-1-enyl]benzene;pentyl acetate
CID 67944883
butyl 4-(butylcarbamoyl)benzoate
CID 71328248
4-formyl-N-octylbenzamide
CID 59691779
4-butoxy-N-hexadecylbenzamide
CID 4936106

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(E)-prop-1-enyl]benzoyl]amino]butyl (E)-2-methylbut-2-enoate?
The IUPAC name of 4-[[4-[(E)-prop-1-enyl]benzoyl]amino]butyl (E)-2-methylbut-2-enoate (CID 175229978) is 4-[[4-[(E)-prop-1-enyl]benzoyl]amino]butyl (E)-2-methylbut-2-enoate.
What is the SMILES notation for 4-[[4-[(E)-prop-1-enyl]benzoyl]amino]butyl (E)-2-methylbut-2-enoate?
The canonical SMILES for 4-[[4-[(E)-prop-1-enyl]benzoyl]amino]butyl (E)-2-methylbut-2-enoate is C/C=C/c1ccc(C(=O)NCCCCOC(=O)/C(C)=C/C)cc1.
What is the InChIKey of 4-[[4-[(E)-prop-1-enyl]benzoyl]amino]butyl (E)-2-methylbut-2-enoate?
The InChIKey is PLSLGQSKUWZOMV-WKHPCKQLSA-N. The full InChI is InChI=1S/C19H25NO3/c1-4-8-16-9-11-17(12-10-16)18(21)20-13-6-7-14-23-19(22)15(3)5-2/h4-5,8-12H,6-7,13-14H2,1-3H3,(H,20,21)/b8-4+,15-5+.
What are the key properties of 4-[[4-[(E)-prop-1-enyl]benzoyl]amino]butyl (E)-2-methylbut-2-enoate?
4-[[4-[(E)-prop-1-enyl]benzoyl]amino]butyl (E)-2-methylbut-2-enoate has a molecular weight of 315.41 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(E)-prop-1-enyl]benzoyl]amino]butyl (E)-2-methylbut-2-enoate is sourced from PubChem (CID 175229978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).