1-cyclopropyl-1-[(2-methoxyphenyl)methyl]-3-(4-methyl-2-morpholin-4-ylpentyl)urea

C22H35N3O3 — CID 87038436

IUPAC1-cyclopropyl-1-[(2-methoxyphenyl)methyl]-3-(4-methyl-2-morpholin-4-ylpentyl)urea
SMILESCOc1ccccc1CN(C(=O)NCC(CC(C)C)N1CCOCC1)C1CC1
InChIInChI=1S/C22H35N3O3/c1-17(2)14-20(24-10-12-28-13-11-24)15-23-22(26)25(19-8-9-19)16-18-6-4-5-7-21(18)27-3/h4-7,17,19-20H,8-16H2,1-3H3,(H,23,26)
InChIKeyDKGBFYYJNSHBML-UHFFFAOYSA-N
MW389.54 g/mol
LogP3.12
Rot. Bonds9

About 1-cyclopropyl-1-[(2-methoxyphenyl)methyl]-3-(4-methyl-2-morpholin-4-ylpentyl)urea

1-cyclopropyl-1-[(2-methoxyphenyl)methyl]-3-(4-methyl-2-morpholin-4-ylpentyl)urea (PubChem CID 87038436) has the molecular formula C22H35N3O3 and a molecular weight of 389.54 g/mol. Its IUPAC name is 1-cyclopropyl-1-[(2-methoxyphenyl)methyl]-3-(4-methyl-2-morpholin-4-ylpentyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-1-[(2-methoxyphenyl)methyl]-3-(4-methyl-2-morpholin-4-ylpentyl)urea
PubChem CID87038436
Molecular FormulaC22H35N3O3
Molecular Weight389.54 g/mol
Exact Mass389.27
IUPAC Name1-cyclopropyl-1-[(2-methoxyphenyl)methyl]-3-(4-methyl-2-morpholin-4-ylpentyl)urea
SMILESCOc1ccccc1CN(C(=O)NCC(CC(C)C)N1CCOCC1)C1CC1
InChIInChI=1S/C22H35N3O3/c1-17(2)14-20(24-10-12-28-13-11-24)15-23-22(26)25(19-8-9-19)16-18-6-4-5-7-21(18)27-3/h4-7,17,19-20H,8-16H2,1-3H3,(H,23,26)
InChIKeyDKGBFYYJNSHBML-UHFFFAOYSA-N
XLogP3.12
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide
CID 110403268
1-ethyl-2-[(2-methoxyphenyl)methyl]-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine
CID 111216987
1-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine
CID 109406818
N-[2-methoxy-4-[(4-methyl-2-morpholin-4-ylpentyl)carbamoylamino]phenyl]acetamide
CID 55744114
2-ethoxy-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide
CID 134027029
1-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(2-methylpropyl)urea
CID 110622101
1-[2-(2-methoxyphenoxy)propyl]-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine
CID 111682384
1-[(2,3-dimethoxyphenyl)methyl]-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine
CID 111936059
3-(3,4-dimethoxyphenyl)-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide
CID 55520619
1-[[2-(methoxymethyl)phenyl]methyl]-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide
CID 111935304
2-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-ethyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide
CID 111935752
1-[(1S)-2-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylethyl]-3-[(2S)-4-methyl-2-morpholin-4-ylpentyl]urea
CID 95593569

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[(2-methoxyphenyl)methyl]-3-(4-methyl-2-morpholin-4-ylpentyl)urea?
The IUPAC name of 1-cyclopropyl-1-[(2-methoxyphenyl)methyl]-3-(4-methyl-2-morpholin-4-ylpentyl)urea (CID 87038436) is 1-cyclopropyl-1-[(2-methoxyphenyl)methyl]-3-(4-methyl-2-morpholin-4-ylpentyl)urea.
What is the SMILES notation for 1-cyclopropyl-1-[(2-methoxyphenyl)methyl]-3-(4-methyl-2-morpholin-4-ylpentyl)urea?
The canonical SMILES for 1-cyclopropyl-1-[(2-methoxyphenyl)methyl]-3-(4-methyl-2-morpholin-4-ylpentyl)urea is COc1ccccc1CN(C(=O)NCC(CC(C)C)N1CCOCC1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-[(2-methoxyphenyl)methyl]-3-(4-methyl-2-morpholin-4-ylpentyl)urea?
The InChIKey is DKGBFYYJNSHBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O3/c1-17(2)14-20(24-10-12-28-13-11-24)15-23-22(26)25(19-8-9-19)16-18-6-4-5-7-21(18)27-3/h4-7,17,19-20H,8-16H2,1-3H3,(H,23,26).
What are the key properties of 1-cyclopropyl-1-[(2-methoxyphenyl)methyl]-3-(4-methyl-2-morpholin-4-ylpentyl)urea?
1-cyclopropyl-1-[(2-methoxyphenyl)methyl]-3-(4-methyl-2-morpholin-4-ylpentyl)urea has a molecular weight of 389.54 g/mol, XLogP of 3.12, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[(2-methoxyphenyl)methyl]-3-(4-methyl-2-morpholin-4-ylpentyl)urea is sourced from PubChem (CID 87038436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).