1-[4-(4-methoxyphenyl)butan-2-yl]-3-[2-(pyrazin-2-ylamino)ethyl]urea

C18H25N5O2 — CID 51096149

IUPAC1-[4-(4-methoxyphenyl)butan-2-yl]-3-[2-(pyrazin-2-ylamino)ethyl]urea
SMILESCOc1ccc(CCC(C)NC(=O)NCCNc2cnccn2)cc1
InChIInChI=1S/C18H25N5O2/c1-14(3-4-15-5-7-16(25-2)8-6-15)23-18(24)22-12-11-21-17-13-19-9-10-20-17/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,20,21)(H2,22,23,24)
InChIKeyZOLNKIMMKFYHHY-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.22
Rot. Bonds9

About 1-[4-(4-methoxyphenyl)butan-2-yl]-3-[2-(pyrazin-2-ylamino)ethyl]urea

1-[4-(4-methoxyphenyl)butan-2-yl]-3-[2-(pyrazin-2-ylamino)ethyl]urea (PubChem CID 51096149) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)butan-2-yl]-3-[2-(pyrazin-2-ylamino)ethyl]urea.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)butan-2-yl]-3-[2-(pyrazin-2-ylamino)ethyl]urea
PubChem CID51096149
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name1-[4-(4-methoxyphenyl)butan-2-yl]-3-[2-(pyrazin-2-ylamino)ethyl]urea
SMILESCOc1ccc(CCC(C)NC(=O)NCCNc2cnccn2)cc1
InChIInChI=1S/C18H25N5O2/c1-14(3-4-15-5-7-16(25-2)8-6-15)23-18(24)22-12-11-21-17-13-19-9-10-20-17/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,20,21)(H2,22,23,24)
InChIKeyZOLNKIMMKFYHHY-UHFFFAOYSA-N
XLogP2.22
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[4-(4-methoxyphenyl)butan-2-yl]-3-[2-(pyrazin-2-ylamino)ethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3-(2-pyridin-2-ylethyl)urea
CID 95178027
1-(3-ethoxypropyl)-3-[(2S)-4-(4-methoxyphenyl)butan-2-yl]urea
CID 95192114
(2R)-2-amino-N-[2-(pyrazin-2-ylamino)ethyl]propanamide;dihydrochloride
CID 119851731
1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-3-(2-morpholin-4-ylethyl)urea
CID 95178028
1-[(1R)-1-(2-methoxyphenyl)ethyl]-1-methyl-3-[2-(pyrazin-2-ylamino)ethyl]urea
CID 97089114
1-[1-(4-hydroxyphenyl)propan-2-yl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 60577862
1-[4-(4-methoxyphenyl)butan-2-yl]-3-phenylurea
CID 168974100
5-[4-(4-methoxyphenyl)butan-2-ylcarbamoyl]pyrazine-2-carboxylic acid
CID 120684984
N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-2-(pyridin-4-ylmethylsulfanyl)acetamide
CID 94816754
1-[1-(2,4-dimethoxyphenyl)ethyl]-3-[2-(pyridin-2-ylamino)ethyl]urea
CID 51083709
2-amino-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide
CID 119288095
2-[2-(4-methoxyphenyl)ethylamino]-N-(3-methylbutyl)pyridine-4-carboxamide
CID 109173026

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenyl)butan-2-yl]-3-[2-(pyrazin-2-ylamino)ethyl]urea?
The IUPAC name of 1-[4-(4-methoxyphenyl)butan-2-yl]-3-[2-(pyrazin-2-ylamino)ethyl]urea (CID 51096149) is 1-[4-(4-methoxyphenyl)butan-2-yl]-3-[2-(pyrazin-2-ylamino)ethyl]urea.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)butan-2-yl]-3-[2-(pyrazin-2-ylamino)ethyl]urea?
The canonical SMILES for 1-[4-(4-methoxyphenyl)butan-2-yl]-3-[2-(pyrazin-2-ylamino)ethyl]urea is COc1ccc(CCC(C)NC(=O)NCCNc2cnccn2)cc1.
What is the InChIKey of 1-[4-(4-methoxyphenyl)butan-2-yl]-3-[2-(pyrazin-2-ylamino)ethyl]urea?
The InChIKey is ZOLNKIMMKFYHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-14(3-4-15-5-7-16(25-2)8-6-15)23-18(24)22-12-11-21-17-13-19-9-10-20-17/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,20,21)(H2,22,23,24).
What are the key properties of 1-[4-(4-methoxyphenyl)butan-2-yl]-3-[2-(pyrazin-2-ylamino)ethyl]urea?
1-[4-(4-methoxyphenyl)butan-2-yl]-3-[2-(pyrazin-2-ylamino)ethyl]urea has a molecular weight of 343.43 g/mol, XLogP of 2.22, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenyl)butan-2-yl]-3-[2-(pyrazin-2-ylamino)ethyl]urea is sourced from PubChem (CID 51096149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).