1-(3-cyclopentyloxy-4-methoxyphenyl)-3-(2-methyl-2-morpholin-4-ylbutyl)urea

C22H35N3O4 — CID 47033937

IUPAC1-(3-cyclopentyloxy-4-methoxyphenyl)-3-(2-methyl-2-morpholin-4-ylbutyl)urea
SMILESCCC(C)(CNC(=O)Nc1ccc(OC)c(OC2CCCC2)c1)N1CCOCC1
InChIInChI=1S/C22H35N3O4/c1-4-22(2,25-11-13-28-14-12-25)16-23-21(26)24-17-9-10-19(27-3)20(15-17)29-18-7-5-6-8-18/h9-10,15,18H,4-8,11-14,16H2,1-3H3,(H2,23,24,26)
InChIKeyBVRADJDLBGVRCS-UHFFFAOYSA-N
MW405.54 g/mol
LogP3.64
Rot. Bonds8

About 1-(3-cyclopentyloxy-4-methoxyphenyl)-3-(2-methyl-2-morpholin-4-ylbutyl)urea

1-(3-cyclopentyloxy-4-methoxyphenyl)-3-(2-methyl-2-morpholin-4-ylbutyl)urea (PubChem CID 47033937) has the molecular formula C22H35N3O4 and a molecular weight of 405.54 g/mol. Its IUPAC name is 1-(3-cyclopentyloxy-4-methoxyphenyl)-3-(2-methyl-2-morpholin-4-ylbutyl)urea.

Molecular Properties

Compound Name1-(3-cyclopentyloxy-4-methoxyphenyl)-3-(2-methyl-2-morpholin-4-ylbutyl)urea
PubChem CID47033937
Molecular FormulaC22H35N3O4
Molecular Weight405.54 g/mol
Exact Mass405.26
IUPAC Name1-(3-cyclopentyloxy-4-methoxyphenyl)-3-(2-methyl-2-morpholin-4-ylbutyl)urea
SMILESCCC(C)(CNC(=O)Nc1ccc(OC)c(OC2CCCC2)c1)N1CCOCC1
InChIInChI=1S/C22H35N3O4/c1-4-22(2,25-11-13-28-14-12-25)16-23-21(26)24-17-9-10-19(27-3)20(15-17)29-18-7-5-6-8-18/h9-10,15,18H,4-8,11-14,16H2,1-3H3,(H2,23,24,26)
InChIKeyBVRADJDLBGVRCS-UHFFFAOYSA-N
XLogP3.64
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyclopentyloxy-4-methoxyphenyl)oxolane-3-carboxamide
CID 51094450
1-[(3-amino-5-methylphenyl)methyl]-3-(3-cyclopentyloxy-4-methoxyphenyl)urea
CID 166237399
N-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxo-2-thiomorpholin-4-ylacetamide
CID 97063830
1-butanoyl-N-(3-cyclopentyloxy-4-methoxyphenyl)piperidine-3-carboxamide
CID 55913400
1-[3-[(3-fluorophenyl)methoxy]phenyl]-3-[(2R)-2-methyl-2-morpholin-4-ylbutyl]urea
CID 51963095
N-(3-cyclopentyloxy-4-methoxyphenyl)furan-3-carboxamide
CID 31872175
N-(3-cyclopentyloxy-4-methoxyphenyl)-4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutanamide
CID 56567411
1-(4-cyclobutyloxy-3-fluorophenyl)-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111750960
1-(3-cyclopentyloxy-4-methoxyphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]benzoic acid
CID 161246403
1-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylthiourea
CID 75414342
1-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]urea
CID 113213805
2-chloro-N-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-difluorobenzamide
CID 31870921

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentyloxy-4-methoxyphenyl)-3-(2-methyl-2-morpholin-4-ylbutyl)urea?
The IUPAC name of 1-(3-cyclopentyloxy-4-methoxyphenyl)-3-(2-methyl-2-morpholin-4-ylbutyl)urea (CID 47033937) is 1-(3-cyclopentyloxy-4-methoxyphenyl)-3-(2-methyl-2-morpholin-4-ylbutyl)urea.
What is the SMILES notation for 1-(3-cyclopentyloxy-4-methoxyphenyl)-3-(2-methyl-2-morpholin-4-ylbutyl)urea?
The canonical SMILES for 1-(3-cyclopentyloxy-4-methoxyphenyl)-3-(2-methyl-2-morpholin-4-ylbutyl)urea is CCC(C)(CNC(=O)Nc1ccc(OC)c(OC2CCCC2)c1)N1CCOCC1.
What is the InChIKey of 1-(3-cyclopentyloxy-4-methoxyphenyl)-3-(2-methyl-2-morpholin-4-ylbutyl)urea?
The InChIKey is BVRADJDLBGVRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O4/c1-4-22(2,25-11-13-28-14-12-25)16-23-21(26)24-17-9-10-19(27-3)20(15-17)29-18-7-5-6-8-18/h9-10,15,18H,4-8,11-14,16H2,1-3H3,(H2,23,24,26).
What are the key properties of 1-(3-cyclopentyloxy-4-methoxyphenyl)-3-(2-methyl-2-morpholin-4-ylbutyl)urea?
1-(3-cyclopentyloxy-4-methoxyphenyl)-3-(2-methyl-2-morpholin-4-ylbutyl)urea has a molecular weight of 405.54 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentyloxy-4-methoxyphenyl)-3-(2-methyl-2-morpholin-4-ylbutyl)urea is sourced from PubChem (CID 47033937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).