1-(4-butylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea

C22H29N3O2 — CID 17149107

IUPAC1-(4-butylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea
SMILESCCCCc1ccc(NC(=O)Nc2ccc(CN3CCOCC3)cc2)cc1
InChIInChI=1S/C22H29N3O2/c1-2-3-4-18-5-9-20(10-6-18)23-22(26)24-21-11-7-19(8-12-21)17-25-13-15-27-16-14-25/h5-12H,2-4,13-17H2,1H3,(H2,23,24,26)
InChIKeyKUHFRCMAVMTPGP-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.51
Rot. Bonds7

About 1-(4-butylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea

1-(4-butylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea (PubChem CID 17149107) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 1-(4-butylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea.

Molecular Properties

Compound Name1-(4-butylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea
PubChem CID17149107
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name1-(4-butylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea
SMILESCCCCc1ccc(NC(=O)Nc2ccc(CN3CCOCC3)cc2)cc1
InChIInChI=1S/C22H29N3O2/c1-2-3-4-18-5-9-20(10-6-18)23-22(26)24-21-11-7-19(8-12-21)17-25-13-15-27-16-14-25/h5-12H,2-4,13-17H2,1H3,(H2,23,24,26)
InChIKeyKUHFRCMAVMTPGP-UHFFFAOYSA-N
XLogP4.51
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-butylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]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

N-[4-(morpholin-4-ylmethyl)phenyl]octadecanamide
CID 108730937
1-(4-butylphenyl)-3-(2-morpholin-4-ylethyl)thiourea
CID 2192072
N'-(4-butylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 5223166
1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-(4-propylphenyl)urea
CID 112838284
(2S)-2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]pentanamide
CID 107569254
1-(4-butylphenyl)-3-(4-ethylphenyl)urea
CID 4616049
1-(5-chloro-2-methylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea
CID 17149169
2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60672694
1,3-bis[4-(pyrrolidin-1-ylmethyl)phenyl]urea
CID 17464843
3-methyl-2-[[4-(morpholin-4-ylmethyl)phenyl]carbamoylamino]pentanoic acid
CID 4870797
2-methoxy-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60656764
N-(4-butylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 30388448

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea?
The IUPAC name of 1-(4-butylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea (CID 17149107) is 1-(4-butylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea.
What is the SMILES notation for 1-(4-butylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea?
The canonical SMILES for 1-(4-butylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea is CCCCc1ccc(NC(=O)Nc2ccc(CN3CCOCC3)cc2)cc1.
What is the InChIKey of 1-(4-butylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea?
The InChIKey is KUHFRCMAVMTPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-2-3-4-18-5-9-20(10-6-18)23-22(26)24-21-11-7-19(8-12-21)17-25-13-15-27-16-14-25/h5-12H,2-4,13-17H2,1H3,(H2,23,24,26).
What are the key properties of 1-(4-butylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea?
1-(4-butylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea has a molecular weight of 367.49 g/mol, XLogP of 4.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea is sourced from PubChem (CID 17149107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).