2-(4-aminophenyl)-N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]acetamide;hydrochloride

C20H24ClN3O4 — CID 119717548

IUPAC2-(4-aminophenyl)-N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]acetamide;hydrochloride
SMILESCOc1ccc(NC(=O)Cc2ccc(N)cc2)cc1OCC(=O)NC1CC1.Cl
InChIInChI=1S/C20H23N3O4.ClH/c1-26-17-9-8-16(11-18(17)27-12-20(25)22-15-6-7-15)23-19(24)10-13-2-4-14(21)5-3-13;/h2-5,8-9,11,15H,6-7,10,12,21H2,1H3,(H,22,25)(H,23,24);1H
InChIKeyLDPJEAYYMPLPSB-UHFFFAOYSA-N
MW405.88 g/mol
LogP2.54
Rot. Bonds8

About 2-(4-aminophenyl)-N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]acetamide;hydrochloride

2-(4-aminophenyl)-N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]acetamide;hydrochloride (PubChem CID 119717548) has the molecular formula C20H24ClN3O4 and a molecular weight of 405.88 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]acetamide;hydrochloride
PubChem CID119717548
Molecular FormulaC20H24ClN3O4
Molecular Weight405.88 g/mol
Exact Mass405.15
IUPAC Name2-(4-aminophenyl)-N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]acetamide;hydrochloride
SMILESCOc1ccc(NC(=O)Cc2ccc(N)cc2)cc1OCC(=O)NC1CC1.Cl
InChIInChI=1S/C20H23N3O4.ClH/c1-26-17-9-8-16(11-18(17)27-12-20(25)22-15-6-7-15)23-19(24)10-13-2-4-14(21)5-3-13;/h2-5,8-9,11,15H,6-7,10,12,21H2,1H3,(H,22,25)(H,23,24);1H
InChIKeyLDPJEAYYMPLPSB-UHFFFAOYSA-N
XLogP2.54
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.88
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-4-(methylamino)butanamide
CID 119717551
(2S,5R)-5-(aminomethyl)-N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]oxolane-2-carboxamide;hydrochloride
CID 120786885
2-[5-(2-aminopropyl)-2-methoxyphenoxy]-N-cyclopropylacetamide
CID 60908147
2-(2-aminoethyl)-N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120621658
2-(4-aminophenyl)-N-(3-fluoro-4-methoxyphenyl)acetamide
CID 43380396
N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]morpholine-3-carboxamide;hydrochloride
CID 119717546
2-[4-[2-[[amino-(3-chloro-4-methoxyanilino)methylidene]amino]ethyl]phenoxy]-N-cyclopropylacetamide
CID 111075287
[2-(cyclopropylamino)-2-oxoethyl]-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-methylazanium
CID 9052930
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119717528
2-(4-aminophenyl)-N-cyclobutylacetamide
CID 62416481
N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide
CID 720355
2-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)acetamide
CID 2682877

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]acetamide;hydrochloride?
The IUPAC name of 2-(4-aminophenyl)-N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]acetamide;hydrochloride (CID 119717548) is 2-(4-aminophenyl)-N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(4-aminophenyl)-N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]acetamide;hydrochloride?
The canonical SMILES for 2-(4-aminophenyl)-N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]acetamide;hydrochloride is COc1ccc(NC(=O)Cc2ccc(N)cc2)cc1OCC(=O)NC1CC1.Cl.
What is the InChIKey of 2-(4-aminophenyl)-N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]acetamide;hydrochloride?
The InChIKey is LDPJEAYYMPLPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4.ClH/c1-26-17-9-8-16(11-18(17)27-12-20(25)22-15-6-7-15)23-19(24)10-13-2-4-14(21)5-3-13;/h2-5,8-9,11,15H,6-7,10,12,21H2,1H3,(H,22,25)(H,23,24);1H.
What are the key properties of 2-(4-aminophenyl)-N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]acetamide;hydrochloride?
2-(4-aminophenyl)-N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]acetamide;hydrochloride has a molecular weight of 405.88 g/mol, XLogP of 2.54, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]acetamide;hydrochloride is sourced from PubChem (CID 119717548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).