1-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]urea

C19H38N4O3 — CID 124736359

IUPAC1-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]urea
SMILESC[C@@H]1CN([C@H](C)CNC(=O)NC[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)C[C@@H](C)O1
InChIInChI=1S/C19H38N4O3/c1-13(22-9-15(3)25-16(4)10-22)7-20-19(24)21-8-14(2)23-11-17(5)26-18(6)12-23/h13-18H,7-12H2,1-6H3,(H2,20,21,24)/t13-,14+,15-,16-,17-,18+/m1/s1
InChIKeyOYAUMONTXANTFQ-HVKXIDHRSA-N
MW370.54 g/mol
LogP1.28
Rot. Bonds6

About 1-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]urea

1-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]urea (PubChem CID 124736359) has the molecular formula C19H38N4O3 and a molecular weight of 370.54 g/mol. Its IUPAC name is 1-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]urea.

Molecular Properties

Compound Name1-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]urea
PubChem CID124736359
Molecular FormulaC19H38N4O3
Molecular Weight370.54 g/mol
Exact Mass370.29
IUPAC Name1-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]urea
SMILESC[C@@H]1CN([C@H](C)CNC(=O)NC[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)C[C@@H](C)O1
InChIInChI=1S/C19H38N4O3/c1-13(22-9-15(3)25-16(4)10-22)7-20-19(24)21-8-14(2)23-11-17(5)26-18(6)12-23/h13-18H,7-12H2,1-6H3,(H2,20,21,24)/t13-,14+,15-,16-,17-,18+/m1/s1
InChIKeyOYAUMONTXANTFQ-HVKXIDHRSA-N
XLogP1.28
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]urea with MolForge

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Related Compounds

N-ethyl-7-propan-2-yl-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide
CID 110196120
N-[3-(diethylamino)propyl]-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 172435170
7-propan-2-yl-N-propyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide
CID 110196121
(2S)-N-(2-cyclohexyloxyethyl)-2-methyl-4-(oxan-4-yl)piperazine-1-carboxamide
CID 128128992
N-[(3S)-hexan-3-yl]-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide
CID 164640504
N-(2-morpholin-4-ylpropyl)-4-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-1-carboxamide
CID 133598991
N-(1-morpholin-4-ylpropan-2-yl)-4-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-1-carboxamide
CID 133603215
4-(piperidine-1-carbonyl)-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]piperazine-1-carboxamide
CID 166186169
1,3-Bis[(2,6-dimethylmorpholin-4-yl)methyl]urea
CID 348171
N-cyclohexyl-4-[(1-methyl-2-morpholin-4-ylethyl)amino]piperidine-1-carboxamide
CID 56703440
4-[2-(dimethylamino)ethoxy]-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-1-carboxamide
CID 72136914
N,N'-Bis[2-(morpholin-4-yl)ethyl]urea
CID 17915689

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]urea?
The IUPAC name of 1-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]urea (CID 124736359) is 1-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]urea.
What is the SMILES notation for 1-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]urea?
The canonical SMILES for 1-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]urea is C[C@@H]1CN([C@H](C)CNC(=O)NC[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)C[C@@H](C)O1.
What is the InChIKey of 1-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]urea?
The InChIKey is OYAUMONTXANTFQ-HVKXIDHRSA-N. The full InChI is InChI=1S/C19H38N4O3/c1-13(22-9-15(3)25-16(4)10-22)7-20-19(24)21-8-14(2)23-11-17(5)26-18(6)12-23/h13-18H,7-12H2,1-6H3,(H2,20,21,24)/t13-,14+,15-,16-,17-,18+/m1/s1.
What are the key properties of 1-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]urea?
1-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]urea has a molecular weight of 370.54 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]urea is sourced from PubChem (CID 124736359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).