(4-methoxyphenyl)methyl N-[[4-(3-methoxyanilino)-4-oxobut-1-en-2-yl]amino]carbamate

C20H23N3O5 — CID 5178255

IUPAC(4-methoxyphenyl)methyl N-[[4-(3-methoxyanilino)-4-oxobut-1-en-2-yl]amino]carbamate
SMILESC=C(CC(=O)Nc1cccc(OC)c1)NNC(=O)OCc1ccc(OC)cc1
InChIInChI=1S/C20H23N3O5/c1-14(11-19(24)21-16-5-4-6-18(12-16)27-3)22-23-20(25)28-13-15-7-9-17(26-2)10-8-15/h4-10,12,22H,1,11,13H2,2-3H3,(H,21,24)(H,23,25)
InChIKeyCEQCLIGLGIMLQT-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.98
Rot. Bonds9

About (4-methoxyphenyl)methyl N-[[4-(3-methoxyanilino)-4-oxobut-1-en-2-yl]amino]carbamate

(4-methoxyphenyl)methyl N-[[4-(3-methoxyanilino)-4-oxobut-1-en-2-yl]amino]carbamate (PubChem CID 5178255) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl N-[[4-(3-methoxyanilino)-4-oxobut-1-en-2-yl]amino]carbamate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl N-[[4-(3-methoxyanilino)-4-oxobut-1-en-2-yl]amino]carbamate
PubChem CID5178255
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC Name(4-methoxyphenyl)methyl N-[[4-(3-methoxyanilino)-4-oxobut-1-en-2-yl]amino]carbamate
SMILESC=C(CC(=O)Nc1cccc(OC)c1)NNC(=O)OCc1ccc(OC)cc1
InChIInChI=1S/C20H23N3O5/c1-14(11-19(24)21-16-5-4-6-18(12-16)27-3)22-23-20(25)28-13-15-7-9-17(26-2)10-8-15/h4-10,12,22H,1,11,13H2,2-3H3,(H,21,24)(H,23,25)
InChIKeyCEQCLIGLGIMLQT-UHFFFAOYSA-N
XLogP2.98
TPSA97.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4-methoxyphenyl)methyl N-[[4-oxo-4-(1-phenylethylamino)but-1-en-2-yl]amino]carbamate
CID 3668058
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CID 67668743
2-[4-(aminomethyl)phenoxy]-N-(3-methoxyphenyl)acetamide
CID 16795321
2-(4-methoxyphenyl)-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154686
2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733
N-(3-methoxyphenyl)-N'-[[4-[(4-methoxyphenyl)methoxy]phenyl]methylideneamino]propanediamide
CID 4317093
2-(4-bromophenyl)-N-(3-methoxyphenyl)acetamide
CID 2205638
ethyl N-[(3-methoxyphenyl)carbamothioylamino]carbamate
CID 2823947
[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2590569
N-(3-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl-methylamino]acetamide
CID 8555397
3-[2-(3-chloro-4-nitrobenzoyl)hydrazinyl]-N-(3-methoxyphenyl)but-3-enamide
CID 4154604
cobalt(2+);bis(2-(3-methoxyanilino)-2-oxoethanethiolate)
CID 6100941

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl N-[[4-(3-methoxyanilino)-4-oxobut-1-en-2-yl]amino]carbamate?
The IUPAC name of (4-methoxyphenyl)methyl N-[[4-(3-methoxyanilino)-4-oxobut-1-en-2-yl]amino]carbamate (CID 5178255) is (4-methoxyphenyl)methyl N-[[4-(3-methoxyanilino)-4-oxobut-1-en-2-yl]amino]carbamate.
What is the SMILES notation for (4-methoxyphenyl)methyl N-[[4-(3-methoxyanilino)-4-oxobut-1-en-2-yl]amino]carbamate?
The canonical SMILES for (4-methoxyphenyl)methyl N-[[4-(3-methoxyanilino)-4-oxobut-1-en-2-yl]amino]carbamate is C=C(CC(=O)Nc1cccc(OC)c1)NNC(=O)OCc1ccc(OC)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl N-[[4-(3-methoxyanilino)-4-oxobut-1-en-2-yl]amino]carbamate?
The InChIKey is CEQCLIGLGIMLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-14(11-19(24)21-16-5-4-6-18(12-16)27-3)22-23-20(25)28-13-15-7-9-17(26-2)10-8-15/h4-10,12,22H,1,11,13H2,2-3H3,(H,21,24)(H,23,25).
What are the key properties of (4-methoxyphenyl)methyl N-[[4-(3-methoxyanilino)-4-oxobut-1-en-2-yl]amino]carbamate?
(4-methoxyphenyl)methyl N-[[4-(3-methoxyanilino)-4-oxobut-1-en-2-yl]amino]carbamate has a molecular weight of 385.42 g/mol, XLogP of 2.98, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl N-[[4-(3-methoxyanilino)-4-oxobut-1-en-2-yl]amino]carbamate is sourced from PubChem (CID 5178255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).