1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]urea

C17H26N2O4 — CID 97082558

IUPAC1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]urea
SMILESCC(C)COC[C@H](O)CNC(=O)N[C@H]1CCOc2ccccc21
InChIInChI=1S/C17H26N2O4/c1-12(2)10-22-11-13(20)9-18-17(21)19-15-7-8-23-16-6-4-3-5-14(15)16/h3-6,12-13,15,20H,7-11H2,1-2H3,(H2,18,19,21)/t13-,15+/m1/s1
InChIKeyWTYZKHHIWMLIGT-HIFRSBDPSA-N
MW322.41 g/mol
LogP1.84
Rot. Bonds7

About 1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]urea

1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]urea (PubChem CID 97082558) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]urea.

Molecular Properties

Compound Name1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]urea
PubChem CID97082558
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]urea
SMILESCC(C)COC[C@H](O)CNC(=O)N[C@H]1CCOc2ccccc21
InChIInChI=1S/C17H26N2O4/c1-12(2)10-22-11-13(20)9-18-17(21)19-15-7-8-23-16-6-4-3-5-14(15)16/h3-6,12-13,15,20H,7-11H2,1-2H3,(H2,18,19,21)/t13-,15+/m1/s1
InChIKeyWTYZKHHIWMLIGT-HIFRSBDPSA-N
XLogP1.84
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]urea with MolForge

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Related Compounds

1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]urea
CID 97082557
1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(2-hydroxyethyl)urea
CID 97083391
1-(3,4-dihydro-2H-chromen-4-yl)-3-[2-(dimethylamino)ethyl]urea
CID 110866006
1-(3,4-dihydro-2H-chromen-4-yl)-3-(3-phenylprop-2-ynyl)urea
CID 51077520
N-(3,4-dihydro-2H-chromen-4-yl)-4-(2-methylpropoxy)benzamide
CID 47006594
2-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)propanoic acid
CID 55063461
1-(3,4-dihydro-2H-chromen-4-yl)-3-(2-methylpropyl)thiourea
CID 115571937
1-(2,3-dihydro-1H-inden-1-yl)-3-(2-hydroxy-3-methoxypropyl)urea
CID 111426668
1-(3,4-dihydro-2H-chromen-4-yl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]urea
CID 167867977
1-(3,4-dihydro-2H-chromen-4-yl)-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936462
2-(3,4-dihydro-2H-chromen-4-ylamino)-N-(2-methylpropyl)propanamide
CID 60677318
1-tert-butyl-3-(3,4-dihydro-2H-chromen-4-yl)urea
CID 110750051

Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]urea?
The IUPAC name of 1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]urea (CID 97082558) is 1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]urea.
What is the SMILES notation for 1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]urea?
The canonical SMILES for 1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]urea is CC(C)COC[C@H](O)CNC(=O)N[C@H]1CCOc2ccccc21.
What is the InChIKey of 1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]urea?
The InChIKey is WTYZKHHIWMLIGT-HIFRSBDPSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-12(2)10-22-11-13(20)9-18-17(21)19-15-7-8-23-16-6-4-3-5-14(15)16/h3-6,12-13,15,20H,7-11H2,1-2H3,(H2,18,19,21)/t13-,15+/m1/s1.
What are the key properties of 1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]urea?
1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]urea has a molecular weight of 322.41 g/mol, XLogP of 1.84, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]urea is sourced from PubChem (CID 97082558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).