4-[[4-[(E)-prop-1-enyl]benzoyl]amino]butyl carbamate

C15H20N2O3 — CID 175229958

IUPAC4-[[4-[(E)-prop-1-enyl]benzoyl]amino]butyl carbamate
SMILESC/C=C/c1ccc(C(=O)NCCCCOC(N)=O)cc1
InChIInChI=1S/C15H20N2O3/c1-2-5-12-6-8-13(9-7-12)14(18)17-10-3-4-11-20-15(16)19/h2,5-9H,3-4,10-11H2,1H3,(H2,16,19)(H,17,18)/b5-2+
InChIKeyPEYPMQGWJCNPFI-GORDUTHDSA-N
MW276.34 g/mol
LogP2.33
Rot. Bonds7

About 4-[[4-[(E)-prop-1-enyl]benzoyl]amino]butyl carbamate

4-[[4-[(E)-prop-1-enyl]benzoyl]amino]butyl carbamate (PubChem CID 175229958) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-[[4-[(E)-prop-1-enyl]benzoyl]amino]butyl carbamate.

Molecular Properties

Compound Name4-[[4-[(E)-prop-1-enyl]benzoyl]amino]butyl carbamate
PubChem CID175229958
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name4-[[4-[(E)-prop-1-enyl]benzoyl]amino]butyl carbamate
SMILESC/C=C/c1ccc(C(=O)NCCCCOC(N)=O)cc1
InChIInChI=1S/C15H20N2O3/c1-2-5-12-6-8-13(9-7-12)14(18)17-10-3-4-11-20-15(16)19/h2,5-9H,3-4,10-11H2,1H3,(H2,16,19)(H,17,18)/b5-2+
InChIKeyPEYPMQGWJCNPFI-GORDUTHDSA-N
XLogP2.33
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-[(E)-prop-1-enyl]benzoyl]amino]butyl (E)-2-methylbut-2-enoate
CID 175229978
3-[(4-prop-1-enylbenzoyl)amino]propanoic acid
CID 91596650
N-(3-hydroxypropyl)-4-[2-[4-(3-hydroxypropylcarbamoyl)phenyl]ethenyl]benzamide
CID 71357848
4-formyl-N-octylbenzamide
CID 59691779
4-formyl-N-tricosylbenzamide
CID 166066746
N-butyl-4-formylbenzamide
CID 118474745
4-methoxy-N-(4-methoxybutyl)benzamide
CID 110417955
N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-4-formylbenzamide
CID 89427030
butyl 4-(butylcarbamoyl)benzoate
CID 71328248
2-[[4-(propylamino)benzoyl]amino]ethyl carbamate
CID 83215122
2-[(3-bromo-4-methylbenzoyl)amino]ethyl carbamate
CID 83203375
4-amino-N-[5-(4-aminophenoxy)pentyl]benzamide
CID 3026991

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(E)-prop-1-enyl]benzoyl]amino]butyl carbamate?
The IUPAC name of 4-[[4-[(E)-prop-1-enyl]benzoyl]amino]butyl carbamate (CID 175229958) is 4-[[4-[(E)-prop-1-enyl]benzoyl]amino]butyl carbamate.
What is the SMILES notation for 4-[[4-[(E)-prop-1-enyl]benzoyl]amino]butyl carbamate?
The canonical SMILES for 4-[[4-[(E)-prop-1-enyl]benzoyl]amino]butyl carbamate is C/C=C/c1ccc(C(=O)NCCCCOC(N)=O)cc1.
What is the InChIKey of 4-[[4-[(E)-prop-1-enyl]benzoyl]amino]butyl carbamate?
The InChIKey is PEYPMQGWJCNPFI-GORDUTHDSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-5-12-6-8-13(9-7-12)14(18)17-10-3-4-11-20-15(16)19/h2,5-9H,3-4,10-11H2,1H3,(H2,16,19)(H,17,18)/b5-2+.
What are the key properties of 4-[[4-[(E)-prop-1-enyl]benzoyl]amino]butyl carbamate?
4-[[4-[(E)-prop-1-enyl]benzoyl]amino]butyl carbamate has a molecular weight of 276.34 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 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 carbamate is sourced from PubChem (CID 175229958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).