5-amino-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-2-methylbenzamide

C21H25N3O3 — CID 120622061

IUPAC5-amino-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)NC(C)c1ccc(OCC(=O)NC2CC2)cc1
InChIInChI=1S/C21H25N3O3/c1-13-3-6-16(22)11-19(13)21(26)23-14(2)15-4-9-18(10-5-15)27-12-20(25)24-17-7-8-17/h3-6,9-11,14,17H,7-8,12,22H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyAXNKKRRYLMWCEJ-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.73
Rot. Bonds7

About 5-amino-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-2-methylbenzamide

5-amino-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-2-methylbenzamide (PubChem CID 120622061) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 5-amino-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-2-methylbenzamide
PubChem CID120622061
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name5-amino-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)NC(C)c1ccc(OCC(=O)NC2CC2)cc1
InChIInChI=1S/C21H25N3O3/c1-13-3-6-16(22)11-19(13)21(26)23-14(2)15-4-9-18(10-5-15)27-12-20(25)24-17-7-8-17/h3-6,9-11,14,17H,7-8,12,22H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyAXNKKRRYLMWCEJ-UHFFFAOYSA-N
XLogP2.73
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]propanamide;hydrochloride
CID 119288036
N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 112843376
N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]pyrrolidine-3-carboxamide
CID 119720950
2-(4-aminophenoxy)-N-(4-ethylcyclohexyl)acetamide
CID 61466103
2-(aminomethyl)-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 119720936
2-(2-aminoethyl)-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120622062
2-[4-[(2-phenoxyacetyl)amino]piperidin-1-yl]-N-(1-phenylethyl)benzamide
CID 46037468
2-[4-(1-aminoethyl)phenoxy]-N-cyclopentylacetamide
CID 43186036
5-amino-N-(1-cyclopropylethyl)-2-methylbenzamide
CID 61290779
5-amino-N-(4-ethylcyclohexyl)-2-methylbenzamide
CID 61466325
ethyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 32964517
N-cyclopropyl-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 78759925

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-2-methylbenzamide?
The IUPAC name of 5-amino-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-2-methylbenzamide (CID 120622061) is 5-amino-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-2-methylbenzamide.
What is the SMILES notation for 5-amino-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-2-methylbenzamide?
The canonical SMILES for 5-amino-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-2-methylbenzamide is Cc1ccc(N)cc1C(=O)NC(C)c1ccc(OCC(=O)NC2CC2)cc1.
What is the InChIKey of 5-amino-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-2-methylbenzamide?
The InChIKey is AXNKKRRYLMWCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-13-3-6-16(22)11-19(13)21(26)23-14(2)15-4-9-18(10-5-15)27-12-20(25)24-17-7-8-17/h3-6,9-11,14,17H,7-8,12,22H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of 5-amino-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-2-methylbenzamide?
5-amino-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-2-methylbenzamide has a molecular weight of 367.45 g/mol, XLogP of 2.73, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-2-methylbenzamide is sourced from PubChem (CID 120622061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).