N-[4-methoxy-3-[(2-methoxyphenyl)carbamoylamino]phenyl]-2-(1-prop-2-enoylazetidin-3-yl)acetamide

C23H26N4O5 — CID 166421513

IUPACN-[4-methoxy-3-[(2-methoxyphenyl)carbamoylamino]phenyl]-2-(1-prop-2-enoylazetidin-3-yl)acetamide
SMILESC=CC(=O)N1CC(CC(=O)Nc2ccc(OC)c(NC(=O)Nc3ccccc3OC)c2)C1
InChIInChI=1S/C23H26N4O5/c1-4-22(29)27-13-15(14-27)11-21(28)24-16-9-10-20(32-3)18(12-16)26-23(30)25-17-7-5-6-8-19(17)31-2/h4-10,12,15H,1,11,13-14H2,2-3H3,(H,24,28)(H2,25,26,30)
InChIKeyMKVFLBDGMOHKPE-UHFFFAOYSA-N
MW438.48 g/mol
LogP3.32
Rot. Bonds8

About N-[4-methoxy-3-[(2-methoxyphenyl)carbamoylamino]phenyl]-2-(1-prop-2-enoylazetidin-3-yl)acetamide

N-[4-methoxy-3-[(2-methoxyphenyl)carbamoylamino]phenyl]-2-(1-prop-2-enoylazetidin-3-yl)acetamide (PubChem CID 166421513) has the molecular formula C23H26N4O5 and a molecular weight of 438.48 g/mol. Its IUPAC name is N-[4-methoxy-3-[(2-methoxyphenyl)carbamoylamino]phenyl]-2-(1-prop-2-enoylazetidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-methoxy-3-[(2-methoxyphenyl)carbamoylamino]phenyl]-2-(1-prop-2-enoylazetidin-3-yl)acetamide
PubChem CID166421513
Molecular FormulaC23H26N4O5
Molecular Weight438.48 g/mol
Exact Mass438.19
IUPAC NameN-[4-methoxy-3-[(2-methoxyphenyl)carbamoylamino]phenyl]-2-(1-prop-2-enoylazetidin-3-yl)acetamide
SMILESC=CC(=O)N1CC(CC(=O)Nc2ccc(OC)c(NC(=O)Nc3ccccc3OC)c2)C1
InChIInChI=1S/C23H26N4O5/c1-4-22(29)27-13-15(14-27)11-21(28)24-16-9-10-20(32-3)18(12-16)26-23(30)25-17-7-5-6-8-19(17)31-2/h4-10,12,15H,1,11,13-14H2,2-3H3,(H,24,28)(H2,25,26,30)
InChIKeyMKVFLBDGMOHKPE-UHFFFAOYSA-N
XLogP3.32
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-amino-4-methoxyphenyl)-3-(2-methoxyphenyl)urea
CID 43602334
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CID 880879
4-[(2-cyclopentylacetyl)amino]-N-(2-methoxyphenyl)benzamide
CID 9244990
1-(2-ethoxyphenyl)-3-[4-(4-prop-2-enoylpiperazin-1-yl)phenyl]urea
CID 172888667
CID 168763596
CID 168763596
2-[1-[2-(2-methoxyanilino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64617921
N-(5-acetamido-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119680223
N-(3-acetamido-4-methoxyphenyl)-3-(2-ethylphenoxy)azetidine-1-carboxamide
CID 74231302
2-cyclopentyl-N-(3,4-dimethoxyphenyl)acetamide
CID 2682853
N-(3-acetamido-4-methoxyphenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 134050966
N-[5-[(2-chlorophenyl)carbamoylamino]-2-methoxyphenyl]-2-morpholin-4-ylacetamide
CID 3568292
2-(1-cyclopropylpiperidin-4-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 110754837

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-[(2-methoxyphenyl)carbamoylamino]phenyl]-2-(1-prop-2-enoylazetidin-3-yl)acetamide?
The IUPAC name of N-[4-methoxy-3-[(2-methoxyphenyl)carbamoylamino]phenyl]-2-(1-prop-2-enoylazetidin-3-yl)acetamide (CID 166421513) is N-[4-methoxy-3-[(2-methoxyphenyl)carbamoylamino]phenyl]-2-(1-prop-2-enoylazetidin-3-yl)acetamide.
What is the SMILES notation for N-[4-methoxy-3-[(2-methoxyphenyl)carbamoylamino]phenyl]-2-(1-prop-2-enoylazetidin-3-yl)acetamide?
The canonical SMILES for N-[4-methoxy-3-[(2-methoxyphenyl)carbamoylamino]phenyl]-2-(1-prop-2-enoylazetidin-3-yl)acetamide is C=CC(=O)N1CC(CC(=O)Nc2ccc(OC)c(NC(=O)Nc3ccccc3OC)c2)C1.
What is the InChIKey of N-[4-methoxy-3-[(2-methoxyphenyl)carbamoylamino]phenyl]-2-(1-prop-2-enoylazetidin-3-yl)acetamide?
The InChIKey is MKVFLBDGMOHKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5/c1-4-22(29)27-13-15(14-27)11-21(28)24-16-9-10-20(32-3)18(12-16)26-23(30)25-17-7-5-6-8-19(17)31-2/h4-10,12,15H,1,11,13-14H2,2-3H3,(H,24,28)(H2,25,26,30).
What are the key properties of N-[4-methoxy-3-[(2-methoxyphenyl)carbamoylamino]phenyl]-2-(1-prop-2-enoylazetidin-3-yl)acetamide?
N-[4-methoxy-3-[(2-methoxyphenyl)carbamoylamino]phenyl]-2-(1-prop-2-enoylazetidin-3-yl)acetamide has a molecular weight of 438.48 g/mol, XLogP of 3.32, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-[(2-methoxyphenyl)carbamoylamino]phenyl]-2-(1-prop-2-enoylazetidin-3-yl)acetamide is sourced from PubChem (CID 166421513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).