1-[cyclopropyl(phenyl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea

C21H31N3O3 — CID 55590697

IUPAC1-[cyclopropyl(phenyl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea
SMILESO=C(NCC(C1CCOC1)N1CCOCC1)NC(c1ccccc1)C1CC1
InChIInChI=1S/C21H31N3O3/c25-21(23-20(17-6-7-17)16-4-2-1-3-5-16)22-14-19(18-8-11-27-15-18)24-9-12-26-13-10-24/h1-5,17-20H,6-15H2,(H2,22,23,25)
InChIKeyZOTUIVZOAVRSBC-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.17
Rot. Bonds7

About 1-[cyclopropyl(phenyl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea

1-[cyclopropyl(phenyl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea (PubChem CID 55590697) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-[cyclopropyl(phenyl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-[cyclopropyl(phenyl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea
PubChem CID55590697
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name1-[cyclopropyl(phenyl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea
SMILESO=C(NCC(C1CCOC1)N1CCOCC1)NC(c1ccccc1)C1CC1
InChIInChI=1S/C21H31N3O3/c25-21(23-20(17-6-7-17)16-4-2-1-3-5-16)22-14-19(18-8-11-27-15-18)24-9-12-26-13-10-24/h1-5,17-20H,6-15H2,(H2,22,23,25)
InChIKeyZOTUIVZOAVRSBC-UHFFFAOYSA-N
XLogP2.17
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-2-phenylbutanamide
CID 94150246
1-(2-chlorophenyl)-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea
CID 55696727
1-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-3-pyridin-4-ylurea
CID 94030463
1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(2-thiophen-2-ylethyl)urea
CID 55590618
N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56514384
1-[2-(N-methylanilino)phenyl]-3-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]urea
CID 52500829
N-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]thiophene-2-carboxamide
CID 94083431
1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-[2-(2-nitroanilino)ethyl]urea
CID 55590017
1-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea
CID 55590371
(2S)-2-(benzenesulfonamido)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]propanamide
CID 55938397
2-methyl-1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111326635
1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(4-nitrophenyl)urea
CID 42942600

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl(phenyl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea?
The IUPAC name of 1-[cyclopropyl(phenyl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea (CID 55590697) is 1-[cyclopropyl(phenyl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea.
What is the SMILES notation for 1-[cyclopropyl(phenyl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea?
The canonical SMILES for 1-[cyclopropyl(phenyl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea is O=C(NCC(C1CCOC1)N1CCOCC1)NC(c1ccccc1)C1CC1.
What is the InChIKey of 1-[cyclopropyl(phenyl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea?
The InChIKey is ZOTUIVZOAVRSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c25-21(23-20(17-6-7-17)16-4-2-1-3-5-16)22-14-19(18-8-11-27-15-18)24-9-12-26-13-10-24/h1-5,17-20H,6-15H2,(H2,22,23,25).
What are the key properties of 1-[cyclopropyl(phenyl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea?
1-[cyclopropyl(phenyl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea has a molecular weight of 373.50 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl(phenyl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea is sourced from PubChem (CID 55590697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).