1-[(2R)-2-(dimethylamino)propyl]-3-[3-[[(2S)-oxan-2-yl]methoxymethyl]phenyl]urea

C19H31N3O3 — CID 95760194

IUPAC1-[(2R)-2-(dimethylamino)propyl]-3-[3-[[(2S)-oxan-2-yl]methoxymethyl]phenyl]urea
SMILESC[C@H](CNC(=O)Nc1cccc(COC[C@@H]2CCCCO2)c1)N(C)C
InChIInChI=1S/C19H31N3O3/c1-15(22(2)3)12-20-19(23)21-17-8-6-7-16(11-17)13-24-14-18-9-4-5-10-25-18/h6-8,11,15,18H,4-5,9-10,12-14H2,1-3H3,(H2,20,21,23)/t15-,18+/m1/s1
InChIKeyCGFCNERYZIZWEI-QAPCUYQASA-N
MW349.47 g/mol
LogP2.84
Rot. Bonds8

About 1-[(2R)-2-(dimethylamino)propyl]-3-[3-[[(2S)-oxan-2-yl]methoxymethyl]phenyl]urea

1-[(2R)-2-(dimethylamino)propyl]-3-[3-[[(2S)-oxan-2-yl]methoxymethyl]phenyl]urea (PubChem CID 95760194) has the molecular formula C19H31N3O3 and a molecular weight of 349.47 g/mol. Its IUPAC name is 1-[(2R)-2-(dimethylamino)propyl]-3-[3-[[(2S)-oxan-2-yl]methoxymethyl]phenyl]urea.

Molecular Properties

Compound Name1-[(2R)-2-(dimethylamino)propyl]-3-[3-[[(2S)-oxan-2-yl]methoxymethyl]phenyl]urea
PubChem CID95760194
Molecular FormulaC19H31N3O3
Molecular Weight349.47 g/mol
Exact Mass349.24
IUPAC Name1-[(2R)-2-(dimethylamino)propyl]-3-[3-[[(2S)-oxan-2-yl]methoxymethyl]phenyl]urea
SMILESC[C@H](CNC(=O)Nc1cccc(COC[C@@H]2CCCCO2)c1)N(C)C
InChIInChI=1S/C19H31N3O3/c1-15(22(2)3)12-20-19(23)21-17-8-6-7-16(11-17)13-24-14-18-9-4-5-10-25-18/h6-8,11,15,18H,4-5,9-10,12-14H2,1-3H3,(H2,20,21,23)/t15-,18+/m1/s1
InChIKeyCGFCNERYZIZWEI-QAPCUYQASA-N
XLogP2.84
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2R)-2-(dimethylamino)propyl]-3-[3-[[(2S)-oxan-2-yl]methoxymethyl]phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N'-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]oxamide
CID 96562652
1-[3-(oxan-2-ylmethoxymethyl)phenyl]-3-(thiophen-3-ylmethyl)urea
CID 102556165
1-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]-3-propan-2-ylthiourea
CID 94587170
(2S)-N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]oxolane-2-carboxamide
CID 94111035
1-[4-(4-methylpiperidin-1-yl)butyl]-3-[3-(oxan-2-ylmethoxymethyl)phenyl]urea
CID 55820598
N-(3-chlorophenyl)-2-[3-(oxan-2-ylmethoxymethyl)anilino]propanamide
CID 55913856
1-[3-(oxan-2-ylmethoxymethyl)phenyl]-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 55820466
(2R)-2-[(2S)-2-hydroxypropyl]-N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]pyrrolidine-1-carboxamide
CID 124855855
1-[1-[2-(difluoromethoxy)phenyl]propyl]-3-[3-(oxan-2-ylmethoxymethyl)phenyl]urea
CID 55818929
2,6-dimethyl-N-[3-(oxan-2-ylmethoxymethyl)phenyl]morpholine-4-carboxamide
CID 51118883
N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]-1,2-oxazole-3-carboxamide
CID 97011567
N-[3-(oxan-2-ylmethoxymethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 71935210

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(dimethylamino)propyl]-3-[3-[[(2S)-oxan-2-yl]methoxymethyl]phenyl]urea?
The IUPAC name of 1-[(2R)-2-(dimethylamino)propyl]-3-[3-[[(2S)-oxan-2-yl]methoxymethyl]phenyl]urea (CID 95760194) is 1-[(2R)-2-(dimethylamino)propyl]-3-[3-[[(2S)-oxan-2-yl]methoxymethyl]phenyl]urea.
What is the SMILES notation for 1-[(2R)-2-(dimethylamino)propyl]-3-[3-[[(2S)-oxan-2-yl]methoxymethyl]phenyl]urea?
The canonical SMILES for 1-[(2R)-2-(dimethylamino)propyl]-3-[3-[[(2S)-oxan-2-yl]methoxymethyl]phenyl]urea is C[C@H](CNC(=O)Nc1cccc(COC[C@@H]2CCCCO2)c1)N(C)C.
What is the InChIKey of 1-[(2R)-2-(dimethylamino)propyl]-3-[3-[[(2S)-oxan-2-yl]methoxymethyl]phenyl]urea?
The InChIKey is CGFCNERYZIZWEI-QAPCUYQASA-N. The full InChI is InChI=1S/C19H31N3O3/c1-15(22(2)3)12-20-19(23)21-17-8-6-7-16(11-17)13-24-14-18-9-4-5-10-25-18/h6-8,11,15,18H,4-5,9-10,12-14H2,1-3H3,(H2,20,21,23)/t15-,18+/m1/s1.
What are the key properties of 1-[(2R)-2-(dimethylamino)propyl]-3-[3-[[(2S)-oxan-2-yl]methoxymethyl]phenyl]urea?
1-[(2R)-2-(dimethylamino)propyl]-3-[3-[[(2S)-oxan-2-yl]methoxymethyl]phenyl]urea has a molecular weight of 349.47 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(dimethylamino)propyl]-3-[3-[[(2S)-oxan-2-yl]methoxymethyl]phenyl]urea is sourced from PubChem (CID 95760194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).