2-(4-aminophenoxy)-N-methyl-5-(pentylcarbamoylamino)benzamide

C20H26N4O3 — CID 69144245

IUPAC2-(4-aminophenoxy)-N-methyl-5-(pentylcarbamoylamino)benzamide
SMILESCCCCCNC(=O)Nc1ccc(Oc2ccc(N)cc2)c(C(=O)NC)c1
InChIInChI=1S/C20H26N4O3/c1-3-4-5-12-23-20(26)24-15-8-11-18(17(13-15)19(25)22-2)27-16-9-6-14(21)7-10-16/h6-11,13H,3-5,12,21H2,1-2H3,(H,22,25)(H2,23,24,26)
InChIKeyZWNQJIJIGLCUTD-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.73
Rot. Bonds8

About 2-(4-aminophenoxy)-N-methyl-5-(pentylcarbamoylamino)benzamide

2-(4-aminophenoxy)-N-methyl-5-(pentylcarbamoylamino)benzamide (PubChem CID 69144245) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-N-methyl-5-(pentylcarbamoylamino)benzamide.

Molecular Properties

Compound Name2-(4-aminophenoxy)-N-methyl-5-(pentylcarbamoylamino)benzamide
PubChem CID69144245
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name2-(4-aminophenoxy)-N-methyl-5-(pentylcarbamoylamino)benzamide
SMILESCCCCCNC(=O)Nc1ccc(Oc2ccc(N)cc2)c(C(=O)NC)c1
InChIInChI=1S/C20H26N4O3/c1-3-4-5-12-23-20(26)24-15-8-11-18(17(13-15)19(25)22-2)27-16-9-6-14(21)7-10-16/h6-11,13H,3-5,12,21H2,1-2H3,(H,22,25)(H2,23,24,26)
InChIKeyZWNQJIJIGLCUTD-UHFFFAOYSA-N
XLogP3.73
TPSA105.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(4-aminophenoxy)-3-(trifluoromethyl)phenyl]-3-pentylurea
CID 69190108
2-chloro-4-(hexylcarbamoylamino)-N-methylbenzamide
CID 60543564
1-(4-aminophenyl)-3-butylurea
CID 28785616
1-[4-(4-amino-3-fluorophenoxy)phenyl]-3-pentylurea
CID 69189342
methyl 2-(4-aminophenoxy)-5-(pentan-3-ylcarbamoylamino)benzoate
CID 143491866
1-[4-[4-(4-hydroxyphenoxy)phenoxy]phenyl]-3-octadecylurea
CID 18183904
1-dodecyl-3-(4-methoxyphenyl)urea
CID 172727415
1-[4-(2-methoxyethoxy)phenyl]-3-pentylurea
CID 47202619
2-[2-[(2-amino-1,3-thiazol-5-yl)oxy]-5-(pentylcarbamoylamino)phenyl]acetic acid
CID 87787228
N-[4-[2-methoxy-4-(pentylcarbamoylamino)phenoxy]phenyl]-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
CID 69143425
1-(4-amino-3-methoxyphenyl)-3-butylurea
CID 61241787
5-amino-N-butyl-2-ethoxybenzamide
CID 28689998

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-N-methyl-5-(pentylcarbamoylamino)benzamide?
The IUPAC name of 2-(4-aminophenoxy)-N-methyl-5-(pentylcarbamoylamino)benzamide (CID 69144245) is 2-(4-aminophenoxy)-N-methyl-5-(pentylcarbamoylamino)benzamide.
What is the SMILES notation for 2-(4-aminophenoxy)-N-methyl-5-(pentylcarbamoylamino)benzamide?
The canonical SMILES for 2-(4-aminophenoxy)-N-methyl-5-(pentylcarbamoylamino)benzamide is CCCCCNC(=O)Nc1ccc(Oc2ccc(N)cc2)c(C(=O)NC)c1.
What is the InChIKey of 2-(4-aminophenoxy)-N-methyl-5-(pentylcarbamoylamino)benzamide?
The InChIKey is ZWNQJIJIGLCUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-3-4-5-12-23-20(26)24-15-8-11-18(17(13-15)19(25)22-2)27-16-9-6-14(21)7-10-16/h6-11,13H,3-5,12,21H2,1-2H3,(H,22,25)(H2,23,24,26).
What are the key properties of 2-(4-aminophenoxy)-N-methyl-5-(pentylcarbamoylamino)benzamide?
2-(4-aminophenoxy)-N-methyl-5-(pentylcarbamoylamino)benzamide has a molecular weight of 370.45 g/mol, XLogP of 3.73, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenoxy)-N-methyl-5-(pentylcarbamoylamino)benzamide is sourced from PubChem (CID 69144245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).