(Z)-2-acetamido-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoic acid

C15H19NO5 — CID 54848084

IUPAC(Z)-2-acetamido-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoic acid
SMILESCOc1cc(/C=C(\NC(C)=O)C(=O)O)ccc1OC(C)C
InChIInChI=1S/C15H19NO5/c1-9(2)21-13-6-5-11(8-14(13)20-4)7-12(15(18)19)16-10(3)17/h5-9H,1-4H3,(H,16,17)(H,18,19)/b12-7-
InChIKeyXSQPBBNLUCSHDC-GHXNOFRVSA-N
MW293.32 g/mol
LogP2.04
Rot. Bonds6

About (Z)-2-acetamido-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoic acid

(Z)-2-acetamido-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoic acid (PubChem CID 54848084) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is (Z)-2-acetamido-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-acetamido-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoic acid
PubChem CID54848084
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name(Z)-2-acetamido-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoic acid
SMILESCOc1cc(/C=C(\NC(C)=O)C(=O)O)ccc1OC(C)C
InChIInChI=1S/C15H19NO5/c1-9(2)21-13-6-5-11(8-14(13)20-4)7-12(15(18)19)16-10(3)17/h5-9H,1-4H3,(H,16,17)(H,18,19)/b12-7-
InChIKeyXSQPBBNLUCSHDC-GHXNOFRVSA-N
XLogP2.04
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-acetamido-3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)prop-2-enoic acid
CID 4768500
2-acetamido-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid
CID 2740034
2-acetamido-3-(4-methoxy-3-prop-2-enoxyphenyl)prop-2-enoic acid
CID 4768018
2,3-bis[(3-methoxy-4-propan-2-yloxyphenyl)methylidene]butanedial
CID 72807650
(Z)-2-acetamido-3-(2-propan-2-yloxyphenyl)prop-2-enoic acid
CID 54846652
2-methoxy-4-[(Z)-2-nitroprop-1-enyl]-1-propan-2-yloxybenzene
CID 55016683
2-acetamido-3-[4-[(3-bromophenyl)methoxy]-3-methoxyphenyl]prop-2-enoic acid
CID 4768267
(E)-2-amino-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enal
CID 39255537
2-cyano-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 78289437
propan-2-yl (E)-2-cyano-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoate
CID 6211720
(E)-2-acetamido-3-(2-methoxy-4-pyridinyl)prop-2-enoic acid
CID 104831016
(Z)-2-acetamido-3-(2,5-dimethoxyphenyl)prop-2-enoic acid
CID 82254507

Frequently Asked Questions

What is the IUPAC name of (Z)-2-acetamido-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-2-acetamido-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoic acid (CID 54848084) is (Z)-2-acetamido-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-2-acetamido-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-2-acetamido-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoic acid is COc1cc(/C=C(\NC(C)=O)C(=O)O)ccc1OC(C)C.
What is the InChIKey of (Z)-2-acetamido-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoic acid?
The InChIKey is XSQPBBNLUCSHDC-GHXNOFRVSA-N. The full InChI is InChI=1S/C15H19NO5/c1-9(2)21-13-6-5-11(8-14(13)20-4)7-12(15(18)19)16-10(3)17/h5-9H,1-4H3,(H,16,17)(H,18,19)/b12-7-.
What are the key properties of (Z)-2-acetamido-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoic acid?
(Z)-2-acetamido-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoic acid has a molecular weight of 293.32 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-acetamido-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 54848084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).