(4-acetylphenyl) N-(4-methyl-3-oxopent-4-enyl)carbamate

C15H17NO4 — CID 67894471

IUPAC(4-acetylphenyl) N-(4-methyl-3-oxopent-4-enyl)carbamate
SMILESC=C(C)C(=O)CCNC(=O)Oc1ccc(C(C)=O)cc1
InChIInChI=1S/C15H17NO4/c1-10(2)14(18)8-9-16-15(19)20-13-6-4-12(5-7-13)11(3)17/h4-7H,1,8-9H2,2-3H3,(H,16,19)
InChIKeyHASIOXGNPZMAIG-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.51
Rot. Bonds6

About (4-acetylphenyl) N-(4-methyl-3-oxopent-4-enyl)carbamate

(4-acetylphenyl) N-(4-methyl-3-oxopent-4-enyl)carbamate (PubChem CID 67894471) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is (4-acetylphenyl) N-(4-methyl-3-oxopent-4-enyl)carbamate.

Molecular Properties

Compound Name(4-acetylphenyl) N-(4-methyl-3-oxopent-4-enyl)carbamate
PubChem CID67894471
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name(4-acetylphenyl) N-(4-methyl-3-oxopent-4-enyl)carbamate
SMILESC=C(C)C(=O)CCNC(=O)Oc1ccc(C(C)=O)cc1
InChIInChI=1S/C15H17NO4/c1-10(2)14(18)8-9-16-15(19)20-13-6-4-12(5-7-13)11(3)17/h4-7H,1,8-9H2,2-3H3,(H,16,19)
InChIKeyHASIOXGNPZMAIG-UHFFFAOYSA-N
XLogP2.51
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-acetylphenyl) 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 9043385
2-[[4-(4-methyl-3-propan-2-ylpent-2-en-2-yl)phenoxy]carbonylamino]ethyl 2-methylprop-2-enoate
CID 156746830
methyl 4-[6-[(4-methoxycarbonylphenoxy)carbonylamino]hexylcarbamoyloxy]benzoate
CID 2834246
(4-acetylphenyl) 3-[(4-nitrobenzoyl)amino]propanoate
CID 8763778
2-[[4-[[4-[bis[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]phenyl]methyl]phenyl]-[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]phenyl]methyl]phenoxy]carbonylamino]ethyl 2-methylprop-2-enoate
CID 90224731
2-[(4-ethylphenoxy)carbonylamino]ethyl 2-methylprop-2-enoate
CID 143902345
3-[(4-ethoxyphenoxy)carbonylamino]propanoic acid
CID 95462842
2-[[4-(methylsulfamoyl)phenoxy]carbonylamino]ethyl 2-methylprop-2-enoate
CID 59974715
2-(4-acetylphenoxy)ethylcarbamic acid
CID 69331429
[4-(2-methylprop-2-enoylamino)phenyl] 8-[[4-(3-methyl-2-oxobut-3-enyl)phenoxy]carbonylamino]octanoate
CID 158632418
[4-(2-methylprop-2-enoylamino)phenyl] N-[2-[2-[2-[[4-(3-methyl-2-oxobut-3-enyl)phenoxy]carbonylamino]ethoxymethyl]-3-[2-[[4-(2-methylprop-2-enoylamino)phenoxy]carbonylamino]ethoxy]-2-[2-[[4-(2-methylprop-2-enoylamino)phenoxy]carbonylamino]ethoxymethyl]propoxy]ethyl]carbamate
CID 134552296
[4-[(E)-C-methyl-N-[6-[[(E)-1-[4-(2-methylprop-2-enoyloxy)phenyl]ethylideneamino]oxycarbonylamino]hexylcarbamoyloxy]carbonimidoyl]phenyl] 2-methylprop-2-enoate
CID 177408604

Frequently Asked Questions

What is the IUPAC name of (4-acetylphenyl) N-(4-methyl-3-oxopent-4-enyl)carbamate?
The IUPAC name of (4-acetylphenyl) N-(4-methyl-3-oxopent-4-enyl)carbamate (CID 67894471) is (4-acetylphenyl) N-(4-methyl-3-oxopent-4-enyl)carbamate.
What is the SMILES notation for (4-acetylphenyl) N-(4-methyl-3-oxopent-4-enyl)carbamate?
The canonical SMILES for (4-acetylphenyl) N-(4-methyl-3-oxopent-4-enyl)carbamate is C=C(C)C(=O)CCNC(=O)Oc1ccc(C(C)=O)cc1.
What is the InChIKey of (4-acetylphenyl) N-(4-methyl-3-oxopent-4-enyl)carbamate?
The InChIKey is HASIOXGNPZMAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-10(2)14(18)8-9-16-15(19)20-13-6-4-12(5-7-13)11(3)17/h4-7H,1,8-9H2,2-3H3,(H,16,19).
What are the key properties of (4-acetylphenyl) N-(4-methyl-3-oxopent-4-enyl)carbamate?
(4-acetylphenyl) N-(4-methyl-3-oxopent-4-enyl)carbamate has a molecular weight of 275.30 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetylphenyl) N-(4-methyl-3-oxopent-4-enyl)carbamate is sourced from PubChem (CID 67894471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).