1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-3-(2-morpholin-4-ylethyl)urea

C18H29N3O3 — CID 95178028

IUPAC1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-3-(2-morpholin-4-ylethyl)urea
SMILESCOc1ccc(CC[C@H](C)NC(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C18H29N3O3/c1-15(3-4-16-5-7-17(23-2)8-6-16)20-18(22)19-9-10-21-11-13-24-14-12-21/h5-8,15H,3-4,9-14H2,1-2H3,(H2,19,20,22)/t15-/m0/s1
InChIKeyLJCSSDVOSPTJRX-HNNXBMFYSA-N
MW335.45 g/mol
LogP1.65
Rot. Bonds8

About 1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-3-(2-morpholin-4-ylethyl)urea

1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-3-(2-morpholin-4-ylethyl)urea (PubChem CID 95178028) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-3-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-3-(2-morpholin-4-ylethyl)urea
PubChem CID95178028
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-3-(2-morpholin-4-ylethyl)urea
SMILESCOc1ccc(CC[C@H](C)NC(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C18H29N3O3/c1-15(3-4-16-5-7-17(23-2)8-6-16)20-18(22)19-9-10-21-11-13-24-14-12-21/h5-8,15H,3-4,9-14H2,1-2H3,(H2,19,20,22)/t15-/m0/s1
InChIKeyLJCSSDVOSPTJRX-HNNXBMFYSA-N
XLogP1.65
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-3-methyl-N-(2-morpholin-4-ylethyl)butanamide
CID 110316912
2-(4-methoxyphenyl)sulfanyl-N-(2-morpholin-4-ylethyl)propanamide
CID 46772645
4-methoxy-N-(2-morpholin-4-ylethylcarbamoyl)benzamide
CID 23875507
N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 6460386
1-[1-(4-hydroxyphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 108871039
1-(3-ethoxypropyl)-3-[(2S)-4-(4-methoxyphenyl)butan-2-yl]urea
CID 95192114
1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 94027153
1-(3,5-dimethoxyphenyl)-3-(2-morpholin-4-ylethyl)urea
CID 16645776
(2S)-2-amino-N-(2-morpholin-4-ylethyl)-4-phenylbutanamide
CID 104983793
1-[2-(2-methoxyphenyl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 110408119
1-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3-(2-pyridin-2-ylethyl)urea
CID 95178027
1-[2-(4-methoxyphenyl)ethyl]-3-[4-(oxolan-2-yl)butan-2-yl]urea
CID 60614284

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-3-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-3-(2-morpholin-4-ylethyl)urea (CID 95178028) is 1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-3-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-3-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-3-(2-morpholin-4-ylethyl)urea is COc1ccc(CC[C@H](C)NC(=O)NCCN2CCOCC2)cc1.
What is the InChIKey of 1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-3-(2-morpholin-4-ylethyl)urea?
The InChIKey is LJCSSDVOSPTJRX-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-15(3-4-16-5-7-17(23-2)8-6-16)20-18(22)19-9-10-21-11-13-24-14-12-21/h5-8,15H,3-4,9-14H2,1-2H3,(H2,19,20,22)/t15-/m0/s1.
What are the key properties of 1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-3-(2-morpholin-4-ylethyl)urea?
1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-3-(2-morpholin-4-ylethyl)urea has a molecular weight of 335.45 g/mol, XLogP of 1.65, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-3-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 95178028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).