ethyl (Z)-3-[4-[[butyl(methyl)carbamoyl]amino]phenyl]prop-2-enoate

C17H24N2O3 — CID 97433430

IUPACethyl (Z)-3-[4-[[butyl(methyl)carbamoyl]amino]phenyl]prop-2-enoate
SMILESCCCCN(C)C(=O)Nc1ccc(/C=C\C(=O)OCC)cc1
InChIInChI=1S/C17H24N2O3/c1-4-6-13-19(3)17(21)18-15-10-7-14(8-11-15)9-12-16(20)22-5-2/h7-12H,4-6,13H2,1-3H3,(H,18,21)/b12-9-
InChIKeyHEYMJWWXUFUGLU-XFXZXTDPSA-N
MW304.39 g/mol
LogP3.53
Rot. Bonds7

About ethyl (Z)-3-[4-[[butyl(methyl)carbamoyl]amino]phenyl]prop-2-enoate

ethyl (Z)-3-[4-[[butyl(methyl)carbamoyl]amino]phenyl]prop-2-enoate (PubChem CID 97433430) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is ethyl (Z)-3-[4-[[butyl(methyl)carbamoyl]amino]phenyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-[4-[[butyl(methyl)carbamoyl]amino]phenyl]prop-2-enoate
PubChem CID97433430
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Nameethyl (Z)-3-[4-[[butyl(methyl)carbamoyl]amino]phenyl]prop-2-enoate
SMILESCCCCN(C)C(=O)Nc1ccc(/C=C\C(=O)OCC)cc1
InChIInChI=1S/C17H24N2O3/c1-4-6-13-19(3)17(21)18-15-10-7-14(8-11-15)9-12-16(20)22-5-2/h7-12H,4-6,13H2,1-3H3,(H,18,21)/b12-9-
InChIKeyHEYMJWWXUFUGLU-XFXZXTDPSA-N
XLogP3.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (Z)-3-[4-[[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)carbamoyl]amino]phenyl]prop-2-enoate
CID 97433387
ethyl (E)-3-[4-[[2-[methyl(pentan-2-yl)amino]acetyl]amino]phenyl]prop-2-enoate
CID 46444897
ethyl (E)-3-[4-[(2-amino-2-methylpropanoyl)amino]phenyl]prop-2-enoate
CID 66931798
ethyl 3-[4-[(2-amino-2-methylpropanoyl)amino]phenyl]prop-2-enoate
CID 58866370
ethyl 3-[4-(octadec-9-enylamino)phenyl]prop-2-enoate
CID 57184227
1-butyl-3-[4-(methanesulfonamido)phenyl]-1-methylurea
CID 108875324
ethyl 3-(4-hexylphenyl)prop-2-enoate
CID 72756118
1-butyl-1-methyl-3-(3-methylphenyl)urea
CID 5220454
ethyl (Z)-3-(4-hexylphenyl)prop-2-enoate
CID 11219172
3-[4-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]phenyl]prop-2-enoic acid
CID 77016644
ethyl (E)-3-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]prop-2-enoate
CID 27902551
ethyl 2-[4-[(E)-2-[4-(dibutylamino)phenyl]ethenyl]anilino]-2-oxoacetate
CID 139033679

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-[4-[[butyl(methyl)carbamoyl]amino]phenyl]prop-2-enoate?
The IUPAC name of ethyl (Z)-3-[4-[[butyl(methyl)carbamoyl]amino]phenyl]prop-2-enoate (CID 97433430) is ethyl (Z)-3-[4-[[butyl(methyl)carbamoyl]amino]phenyl]prop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-[4-[[butyl(methyl)carbamoyl]amino]phenyl]prop-2-enoate?
The canonical SMILES for ethyl (Z)-3-[4-[[butyl(methyl)carbamoyl]amino]phenyl]prop-2-enoate is CCCCN(C)C(=O)Nc1ccc(/C=C\C(=O)OCC)cc1.
What is the InChIKey of ethyl (Z)-3-[4-[[butyl(methyl)carbamoyl]amino]phenyl]prop-2-enoate?
The InChIKey is HEYMJWWXUFUGLU-XFXZXTDPSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-4-6-13-19(3)17(21)18-15-10-7-14(8-11-15)9-12-16(20)22-5-2/h7-12H,4-6,13H2,1-3H3,(H,18,21)/b12-9-.
What are the key properties of ethyl (Z)-3-[4-[[butyl(methyl)carbamoyl]amino]phenyl]prop-2-enoate?
ethyl (Z)-3-[4-[[butyl(methyl)carbamoyl]amino]phenyl]prop-2-enoate has a molecular weight of 304.39 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-[4-[[butyl(methyl)carbamoyl]amino]phenyl]prop-2-enoate is sourced from PubChem (CID 97433430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).