1-[2-(N-methylanilino)phenyl]-3-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]urea

C24H32N4O3 — CID 52500829

IUPAC1-[2-(N-methylanilino)phenyl]-3-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]urea
SMILESCN(c1ccccc1)c1ccccc1NC(=O)NC[C@H]([C@H]1CCOC1)N1CCOCC1
InChIInChI=1S/C24H32N4O3/c1-27(20-7-3-2-4-8-20)22-10-6-5-9-21(22)26-24(29)25-17-23(19-11-14-31-18-19)28-12-15-30-16-13-28/h2-10,19,23H,11-18H2,1H3,(H2,25,26,29)/t19-,23+/m0/s1
InChIKeyNRDCSMRVBYVPDS-WMZHIEFXSA-N
MW424.55 g/mol
LogP3.31
Rot. Bonds7

About 1-[2-(N-methylanilino)phenyl]-3-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]urea

1-[2-(N-methylanilino)phenyl]-3-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]urea (PubChem CID 52500829) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is 1-[2-(N-methylanilino)phenyl]-3-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]urea.

Molecular Properties

Compound Name1-[2-(N-methylanilino)phenyl]-3-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]urea
PubChem CID52500829
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC Name1-[2-(N-methylanilino)phenyl]-3-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]urea
SMILESCN(c1ccccc1)c1ccccc1NC(=O)NC[C@H]([C@H]1CCOC1)N1CCOCC1
InChIInChI=1S/C24H32N4O3/c1-27(20-7-3-2-4-8-20)22-10-6-5-9-21(22)26-24(29)25-17-23(19-11-14-31-18-19)28-12-15-30-16-13-28/h2-10,19,23H,11-18H2,1H3,(H2,25,26,29)/t19-,23+/m0/s1
InChIKeyNRDCSMRVBYVPDS-WMZHIEFXSA-N
XLogP3.31
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-(N-methylanilino)phenyl]-3-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]urea with MolForge

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Related Compounds

1-(2-chlorophenyl)-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea
CID 55696727
1-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]urea
CID 124840254
(2S)-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-2-phenylbutanamide
CID 94150246
1-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]-3-[2-(pyrazol-1-ylmethyl)phenyl]urea
CID 51945979
1-[cyclopropyl(phenyl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea
CID 55590697
1-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-3-pyridin-4-ylurea
CID 94030463
1-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-[(3R)-oxolan-3-yl]-2-pyrrolidin-1-ylethyl]urea
CID 94031834
1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-[2-(2-nitroanilino)ethyl]urea
CID 55590017
(2S)-2-(benzenesulfonamido)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]propanamide
CID 55938397
1-(furan-2-ylmethyl)-1-methyl-3-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]urea
CID 94054450
1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(4-nitrophenyl)urea
CID 42942600
benzyl N-[(2S)-3-methyl-1-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-1-oxobutan-2-yl]carbamate
CID 55938691

Frequently Asked Questions

What is the IUPAC name of 1-[2-(N-methylanilino)phenyl]-3-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]urea?
The IUPAC name of 1-[2-(N-methylanilino)phenyl]-3-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]urea (CID 52500829) is 1-[2-(N-methylanilino)phenyl]-3-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]urea.
What is the SMILES notation for 1-[2-(N-methylanilino)phenyl]-3-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]urea?
The canonical SMILES for 1-[2-(N-methylanilino)phenyl]-3-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]urea is CN(c1ccccc1)c1ccccc1NC(=O)NC[C@H]([C@H]1CCOC1)N1CCOCC1.
What is the InChIKey of 1-[2-(N-methylanilino)phenyl]-3-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]urea?
The InChIKey is NRDCSMRVBYVPDS-WMZHIEFXSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-27(20-7-3-2-4-8-20)22-10-6-5-9-21(22)26-24(29)25-17-23(19-11-14-31-18-19)28-12-15-30-16-13-28/h2-10,19,23H,11-18H2,1H3,(H2,25,26,29)/t19-,23+/m0/s1.
What are the key properties of 1-[2-(N-methylanilino)phenyl]-3-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]urea?
1-[2-(N-methylanilino)phenyl]-3-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]urea has a molecular weight of 424.55 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(N-methylanilino)phenyl]-3-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]urea is sourced from PubChem (CID 52500829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).