1-(2-methoxyethyl)-3-[(2S)-4-methyl-2-[[(1R)-1-phenylethyl]amino]pentyl]urea

C18H31N3O2 — CID 95772665

IUPAC1-(2-methoxyethyl)-3-[(2S)-4-methyl-2-[[(1R)-1-phenylethyl]amino]pentyl]urea
SMILESCOCCNC(=O)NC[C@H](CC(C)C)N[C@H](C)c1ccccc1
InChIInChI=1S/C18H31N3O2/c1-14(2)12-17(13-20-18(22)19-10-11-23-4)21-15(3)16-8-6-5-7-9-16/h5-9,14-15,17,21H,10-13H2,1-4H3,(H2,19,20,22)/t15-,17+/m1/s1
InChIKeyGBBVUYMYORJRBX-WBVHZDCISA-N
MW321.47 g/mol
LogP2.70
Rot. Bonds10

About 1-(2-methoxyethyl)-3-[(2S)-4-methyl-2-[[(1R)-1-phenylethyl]amino]pentyl]urea

1-(2-methoxyethyl)-3-[(2S)-4-methyl-2-[[(1R)-1-phenylethyl]amino]pentyl]urea (PubChem CID 95772665) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-[(2S)-4-methyl-2-[[(1R)-1-phenylethyl]amino]pentyl]urea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-[(2S)-4-methyl-2-[[(1R)-1-phenylethyl]amino]pentyl]urea
PubChem CID95772665
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC Name1-(2-methoxyethyl)-3-[(2S)-4-methyl-2-[[(1R)-1-phenylethyl]amino]pentyl]urea
SMILESCOCCNC(=O)NC[C@H](CC(C)C)N[C@H](C)c1ccccc1
InChIInChI=1S/C18H31N3O2/c1-14(2)12-17(13-20-18(22)19-10-11-23-4)21-15(3)16-8-6-5-7-9-16/h5-9,14-15,17,21H,10-13H2,1-4H3,(H2,19,20,22)/t15-,17+/m1/s1
InChIKeyGBBVUYMYORJRBX-WBVHZDCISA-N
XLogP2.70
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-butan-2-yl-3-[4-methyl-2-(1-phenylethylamino)pentyl]urea
CID 71875258
1-benzhydryl-3-(2-methoxyethyl)urea
CID 108867401
1-(2-methoxyethyl)-3-(1-phenylethyl)thiourea
CID 19649785
(2R)-4-methyl-2-N-[(1S)-1-phenylethyl]pentane-1,2-diamine
CID 52908228
N-(2-methoxyethyl)-3,3-diphenylpropanamide
CID 2263132
6-[[4-methyl-2-(1-phenylethylamino)pentyl]amino]pyridine-2-carboxylic acid
CID 122053761
(2S)-N-(2-methoxyethyl)-2-methyl-3-phenylpropanamide
CID 141196582
methyl (2S,3R)-2-hydroxy-5-methyl-3-[[(1R)-1-phenylethyl]amino]hexanoate
CID 12019148
tert-butyl N-[2-(1-phenylethylamino)propyl]carbamate
CID 103386957
1-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-(2-methoxyethyl)urea
CID 95266924
1-(2,2-diphenylethyl)-3-(2-hydroxy-3-methoxypropyl)urea
CID 111426647
3-methoxy-2-(1-phenylethylamino)propanamide
CID 115774804

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-[(2S)-4-methyl-2-[[(1R)-1-phenylethyl]amino]pentyl]urea?
The IUPAC name of 1-(2-methoxyethyl)-3-[(2S)-4-methyl-2-[[(1R)-1-phenylethyl]amino]pentyl]urea (CID 95772665) is 1-(2-methoxyethyl)-3-[(2S)-4-methyl-2-[[(1R)-1-phenylethyl]amino]pentyl]urea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-[(2S)-4-methyl-2-[[(1R)-1-phenylethyl]amino]pentyl]urea?
The canonical SMILES for 1-(2-methoxyethyl)-3-[(2S)-4-methyl-2-[[(1R)-1-phenylethyl]amino]pentyl]urea is COCCNC(=O)NC[C@H](CC(C)C)N[C@H](C)c1ccccc1.
What is the InChIKey of 1-(2-methoxyethyl)-3-[(2S)-4-methyl-2-[[(1R)-1-phenylethyl]amino]pentyl]urea?
The InChIKey is GBBVUYMYORJRBX-WBVHZDCISA-N. The full InChI is InChI=1S/C18H31N3O2/c1-14(2)12-17(13-20-18(22)19-10-11-23-4)21-15(3)16-8-6-5-7-9-16/h5-9,14-15,17,21H,10-13H2,1-4H3,(H2,19,20,22)/t15-,17+/m1/s1.
What are the key properties of 1-(2-methoxyethyl)-3-[(2S)-4-methyl-2-[[(1R)-1-phenylethyl]amino]pentyl]urea?
1-(2-methoxyethyl)-3-[(2S)-4-methyl-2-[[(1R)-1-phenylethyl]amino]pentyl]urea has a molecular weight of 321.47 g/mol, XLogP of 2.70, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-[(2S)-4-methyl-2-[[(1R)-1-phenylethyl]amino]pentyl]urea is sourced from PubChem (CID 95772665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).