1-cyclopropyl-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1-(oxolan-3-ylmethyl)urea

C21H29N3O4 — CID 167926302

IUPAC1-cyclopropyl-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1-(oxolan-3-ylmethyl)urea
SMILESO=C(Cc1ccc(NC(=O)N(CC2CCOC2)C2CC2)cc1)N1CCOCC1
InChIInChI=1S/C21H29N3O4/c25-20(23-8-11-27-12-9-23)13-16-1-3-18(4-2-16)22-21(26)24(19-5-6-19)14-17-7-10-28-15-17/h1-4,17,19H,5-15H2,(H,22,26)
InChIKeyJYZSENBHPPMEDI-UHFFFAOYSA-N
MW387.48 g/mol
LogP2.12
Rot. Bonds6

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

1-cyclopropyl-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1-(oxolan-3-ylmethyl)urea (PubChem CID 167926302) has the molecular formula C21H29N3O4 and a molecular weight of 387.48 g/mol. Its IUPAC name is 1-cyclopropyl-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1-(oxolan-3-ylmethyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1-(oxolan-3-ylmethyl)urea
PubChem CID167926302
Molecular FormulaC21H29N3O4
Molecular Weight387.48 g/mol
Exact Mass387.22
IUPAC Name1-cyclopropyl-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1-(oxolan-3-ylmethyl)urea
SMILESO=C(Cc1ccc(NC(=O)N(CC2CCOC2)C2CC2)cc1)N1CCOCC1
InChIInChI=1S/C21H29N3O4/c25-20(23-8-11-27-12-9-23)13-16-1-3-18(4-2-16)22-21(26)24(19-5-6-19)14-17-7-10-28-15-17/h1-4,17,19H,5-15H2,(H,22,26)
InChIKeyJYZSENBHPPMEDI-UHFFFAOYSA-N
XLogP2.12
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-1-(cyclopropylmethyl)-3-[4-(2-morpholin-4-ylethyl)phenyl]urea
CID 154747609
(2R)-N-[4-[[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]carbamoyl]amino]phenyl]oxolane-2-carboxamide
CID 95767363
4-[2-[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]amino]-2-oxoethyl]benzoic acid
CID 129469912
3-(1-acetyl-2,3-dihydroindol-5-yl)-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea
CID 75414860
3-amino-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]cyclopentane-1-carboxamide
CID 119712465
N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]morpholine-3-carboxamide
CID 119712459
1-[[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 120549290
3-(3-benzyl-4-methoxyphenyl)-1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]urea
CID 95595264
1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea
CID 94178436
2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]butanamide
CID 46455504
1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-pyridin-2-ylurea
CID 94182434
4-amino-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide
CID 119712469

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1-(oxolan-3-ylmethyl)urea?
The IUPAC name of 1-cyclopropyl-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1-(oxolan-3-ylmethyl)urea (CID 167926302) is 1-cyclopropyl-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1-(oxolan-3-ylmethyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1-(oxolan-3-ylmethyl)urea?
The canonical SMILES for 1-cyclopropyl-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1-(oxolan-3-ylmethyl)urea is O=C(Cc1ccc(NC(=O)N(CC2CCOC2)C2CC2)cc1)N1CCOCC1.
What is the InChIKey of 1-cyclopropyl-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1-(oxolan-3-ylmethyl)urea?
The InChIKey is JYZSENBHPPMEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4/c25-20(23-8-11-27-12-9-23)13-16-1-3-18(4-2-16)22-21(26)24(19-5-6-19)14-17-7-10-28-15-17/h1-4,17,19H,5-15H2,(H,22,26).
What are the key properties of 1-cyclopropyl-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1-(oxolan-3-ylmethyl)urea?
1-cyclopropyl-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1-(oxolan-3-ylmethyl)urea has a molecular weight of 387.48 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1-(oxolan-3-ylmethyl)urea is sourced from PubChem (CID 167926302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).