1-[(3-amino-5-methylphenyl)methyl]-3-(3-cyclopentyloxy-4-methoxyphenyl)urea

C21H27N3O3 — CID 166237399

IUPAC1-[(3-amino-5-methylphenyl)methyl]-3-(3-cyclopentyloxy-4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NCc2cc(C)cc(N)c2)cc1OC1CCCC1
InChIInChI=1S/C21H27N3O3/c1-14-9-15(11-16(22)10-14)13-23-21(25)24-17-7-8-19(26-2)20(12-17)27-18-5-3-4-6-18/h7-12,18H,3-6,13,22H2,1-2H3,(H2,23,24,25)
InChIKeyMEIGHHHYWDYKRF-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.23
Rot. Bonds6

About 1-[(3-amino-5-methylphenyl)methyl]-3-(3-cyclopentyloxy-4-methoxyphenyl)urea

1-[(3-amino-5-methylphenyl)methyl]-3-(3-cyclopentyloxy-4-methoxyphenyl)urea (PubChem CID 166237399) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-[(3-amino-5-methylphenyl)methyl]-3-(3-cyclopentyloxy-4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[(3-amino-5-methylphenyl)methyl]-3-(3-cyclopentyloxy-4-methoxyphenyl)urea
PubChem CID166237399
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name1-[(3-amino-5-methylphenyl)methyl]-3-(3-cyclopentyloxy-4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NCc2cc(C)cc(N)c2)cc1OC1CCCC1
InChIInChI=1S/C21H27N3O3/c1-14-9-15(11-16(22)10-14)13-23-21(25)24-17-7-8-19(26-2)20(12-17)27-18-5-3-4-6-18/h7-12,18H,3-6,13,22H2,1-2H3,(H2,23,24,25)
InChIKeyMEIGHHHYWDYKRF-UHFFFAOYSA-N
XLogP4.23
TPSA85.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.23
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

2-(benzylcarbamoylamino)-N-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylbutanamide
CID 55577235
N-[3-(3-cyclopentyloxy-4-methoxyanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 55650972
5-amino-N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-2-methylbenzamide
CID 120630970
1-[(4-bromophenyl)methyl]-3-(3,4-dimethoxyphenyl)urea
CID 108866298
1-(3-cyclopentyloxy-4-methoxyphenyl)-3-(2-methyl-2-morpholin-4-ylbutyl)urea
CID 47033937
1-(4-amino-3-chlorophenyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 108896754
1-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylthiourea
CID 75414342
1-(3,4-dimethoxyphenyl)-3-[(4-ethoxyphenyl)methyl]urea
CID 108884279
methyl 2-[(3-cyclopentyloxy-4-methoxyphenyl)carbamoyl]benzoate
CID 19428226
N-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxo-2-thiomorpholin-4-ylacetamide
CID 97063830
N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120630974
1-[3-[(1R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-3-[(4-fluorophenyl)methyl]urea
CID 59094641

Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-5-methylphenyl)methyl]-3-(3-cyclopentyloxy-4-methoxyphenyl)urea?
The IUPAC name of 1-[(3-amino-5-methylphenyl)methyl]-3-(3-cyclopentyloxy-4-methoxyphenyl)urea (CID 166237399) is 1-[(3-amino-5-methylphenyl)methyl]-3-(3-cyclopentyloxy-4-methoxyphenyl)urea.
What is the SMILES notation for 1-[(3-amino-5-methylphenyl)methyl]-3-(3-cyclopentyloxy-4-methoxyphenyl)urea?
The canonical SMILES for 1-[(3-amino-5-methylphenyl)methyl]-3-(3-cyclopentyloxy-4-methoxyphenyl)urea is COc1ccc(NC(=O)NCc2cc(C)cc(N)c2)cc1OC1CCCC1.
What is the InChIKey of 1-[(3-amino-5-methylphenyl)methyl]-3-(3-cyclopentyloxy-4-methoxyphenyl)urea?
The InChIKey is MEIGHHHYWDYKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-14-9-15(11-16(22)10-14)13-23-21(25)24-17-7-8-19(26-2)20(12-17)27-18-5-3-4-6-18/h7-12,18H,3-6,13,22H2,1-2H3,(H2,23,24,25).
What are the key properties of 1-[(3-amino-5-methylphenyl)methyl]-3-(3-cyclopentyloxy-4-methoxyphenyl)urea?
1-[(3-amino-5-methylphenyl)methyl]-3-(3-cyclopentyloxy-4-methoxyphenyl)urea has a molecular weight of 369.47 g/mol, XLogP of 4.23, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-5-methylphenyl)methyl]-3-(3-cyclopentyloxy-4-methoxyphenyl)urea is sourced from PubChem (CID 166237399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).