N-hydroxy-4-[(2R)-1-[3-(4-methoxyphenyl)prop-2-enoylamino]propan-2-yl]oxybenzamide

C20H22N2O5 — CID 90817145

IUPACN-hydroxy-4-[(2R)-1-[3-(4-methoxyphenyl)prop-2-enoylamino]propan-2-yl]oxybenzamide
SMILESCOc1ccc(C=CC(=O)NC[C@@H](C)Oc2ccc(C(=O)NO)cc2)cc1
InChIInChI=1S/C20H22N2O5/c1-14(27-18-10-6-16(7-11-18)20(24)22-25)13-21-19(23)12-5-15-3-8-17(26-2)9-4-15/h3-12,14,25H,13H2,1-2H3,(H,21,23)(H,22,24)/t14-/m1/s1
InChIKeyIKXCTLFKSHBKKD-CQSZACIVSA-N
MW370.41 g/mol
LogP2.41
Rot. Bonds8

About N-hydroxy-4-[(2R)-1-[3-(4-methoxyphenyl)prop-2-enoylamino]propan-2-yl]oxybenzamide

N-hydroxy-4-[(2R)-1-[3-(4-methoxyphenyl)prop-2-enoylamino]propan-2-yl]oxybenzamide (PubChem CID 90817145) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-hydroxy-4-[(2R)-1-[3-(4-methoxyphenyl)prop-2-enoylamino]propan-2-yl]oxybenzamide.

Molecular Properties

Compound NameN-hydroxy-4-[(2R)-1-[3-(4-methoxyphenyl)prop-2-enoylamino]propan-2-yl]oxybenzamide
PubChem CID90817145
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC NameN-hydroxy-4-[(2R)-1-[3-(4-methoxyphenyl)prop-2-enoylamino]propan-2-yl]oxybenzamide
SMILESCOc1ccc(C=CC(=O)NC[C@@H](C)Oc2ccc(C(=O)NO)cc2)cc1
InChIInChI=1S/C20H22N2O5/c1-14(27-18-10-6-16(7-11-18)20(24)22-25)13-21-19(23)12-5-15-3-8-17(26-2)9-4-15/h3-12,14,25H,13H2,1-2H3,(H,21,23)(H,22,24)/t14-/m1/s1
InChIKeyIKXCTLFKSHBKKD-CQSZACIVSA-N
XLogP2.41
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(2-hydroxy-3-methylbutyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 115746094
(E)-3-(4-methoxyphenyl)-N-(2-methylbutyl)prop-2-enamide
CID 53243304
3-(4-methoxyphenyl)-N-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]ethyl]prop-2-enamide
CID 2933087
3-(4-methoxyphenyl)-N-(3-methylbutyl)prop-2-enamide
CID 3985990
(E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide
CID 102270516
2-[3-(4-methoxyphenyl)prop-2-enoylamino]acetic acid
CID 3401706
(E)-3-(4-hydroxyphenyl)-N-[(2S)-2-methoxy-2-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 11186462
N-[2-(4-methoxyphenoxy)propyl]pyridine-4-carboxamide
CID 71994221
(E)-N-(2-chloroethyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 6434079
(E)-3-(4-methoxyphenyl)-N'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enehydrazide
CID 21406103
N-[(4-methoxyphenyl)methyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 897847
(E)-N-[(2S)-2-phenoxypropyl]-3-pyridin-3-ylprop-2-enamide
CID 95378350

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[(2R)-1-[3-(4-methoxyphenyl)prop-2-enoylamino]propan-2-yl]oxybenzamide?
The IUPAC name of N-hydroxy-4-[(2R)-1-[3-(4-methoxyphenyl)prop-2-enoylamino]propan-2-yl]oxybenzamide (CID 90817145) is N-hydroxy-4-[(2R)-1-[3-(4-methoxyphenyl)prop-2-enoylamino]propan-2-yl]oxybenzamide.
What is the SMILES notation for N-hydroxy-4-[(2R)-1-[3-(4-methoxyphenyl)prop-2-enoylamino]propan-2-yl]oxybenzamide?
The canonical SMILES for N-hydroxy-4-[(2R)-1-[3-(4-methoxyphenyl)prop-2-enoylamino]propan-2-yl]oxybenzamide is COc1ccc(C=CC(=O)NC[C@@H](C)Oc2ccc(C(=O)NO)cc2)cc1.
What is the InChIKey of N-hydroxy-4-[(2R)-1-[3-(4-methoxyphenyl)prop-2-enoylamino]propan-2-yl]oxybenzamide?
The InChIKey is IKXCTLFKSHBKKD-CQSZACIVSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-14(27-18-10-6-16(7-11-18)20(24)22-25)13-21-19(23)12-5-15-3-8-17(26-2)9-4-15/h3-12,14,25H,13H2,1-2H3,(H,21,23)(H,22,24)/t14-/m1/s1.
What are the key properties of N-hydroxy-4-[(2R)-1-[3-(4-methoxyphenyl)prop-2-enoylamino]propan-2-yl]oxybenzamide?
N-hydroxy-4-[(2R)-1-[3-(4-methoxyphenyl)prop-2-enoylamino]propan-2-yl]oxybenzamide has a molecular weight of 370.41 g/mol, XLogP of 2.41, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(2R)-1-[3-(4-methoxyphenyl)prop-2-enoylamino]propan-2-yl]oxybenzamide is sourced from PubChem (CID 90817145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).