1-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-[(2S)-2-hydroxy-2-phenylethyl]urea

C19H22N2O3 — CID 94151870

IUPAC1-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-[(2S)-2-hydroxy-2-phenylethyl]urea
SMILESO=C(NC[C@H]1COc2ccccc2C1)NC[C@@H](O)c1ccccc1
InChIInChI=1S/C19H22N2O3/c22-17(15-6-2-1-3-7-15)12-21-19(23)20-11-14-10-16-8-4-5-9-18(16)24-13-14/h1-9,14,17,22H,10-13H2,(H2,20,21,23)/t14-,17+/m0/s1
InChIKeyMMMSHBPGFDNURI-WMLDXEAASA-N
MW326.40 g/mol
LogP2.27
Rot. Bonds5

About 1-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-[(2S)-2-hydroxy-2-phenylethyl]urea

1-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-[(2S)-2-hydroxy-2-phenylethyl]urea (PubChem CID 94151870) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-[(2S)-2-hydroxy-2-phenylethyl]urea.

Molecular Properties

Compound Name1-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-[(2S)-2-hydroxy-2-phenylethyl]urea
PubChem CID94151870
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name1-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-[(2S)-2-hydroxy-2-phenylethyl]urea
SMILESO=C(NC[C@H]1COc2ccccc2C1)NC[C@@H](O)c1ccccc1
InChIInChI=1S/C19H22N2O3/c22-17(15-6-2-1-3-7-15)12-21-19(23)20-11-14-10-16-8-4-5-9-18(16)24-13-14/h1-9,14,17,22H,10-13H2,(H2,20,21,23)/t14-,17+/m0/s1
InChIKeyMMMSHBPGFDNURI-WMLDXEAASA-N
XLogP2.27
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

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Related Compounds

1-benzhydryl-3-(3,4-dihydro-2H-chromen-3-ylmethyl)urea
CID 55769875
1-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-ethylurea
CID 47117479
1-[(1,1-dioxothiolan-3-yl)methyl]-3-(2-hydroxy-2-phenylethyl)urea
CID 53498206
(2E,4E)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)hexa-2,4-dienamide
CID 47143635
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-methylbenzamide
CID 51211932
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-methylfuran-2-carboxamide
CID 51241210
N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]morpholine-4-carboxamide
CID 94513083
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine-2-carboxamide
CID 99779688
1-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-[(1S,3R)-3-methylsulfanylcyclopentyl]urea
CID 98773131
2-(3,4-dihydro-2H-chromen-3-yl)acetic acid;hydrochloride
CID 142636452
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(trifluoromethyl)benzamide
CID 40918040
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-ethylsulfanylpropanamide
CID 72920738

Frequently Asked Questions

What is the IUPAC name of 1-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-[(2S)-2-hydroxy-2-phenylethyl]urea?
The IUPAC name of 1-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-[(2S)-2-hydroxy-2-phenylethyl]urea (CID 94151870) is 1-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-[(2S)-2-hydroxy-2-phenylethyl]urea.
What is the SMILES notation for 1-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-[(2S)-2-hydroxy-2-phenylethyl]urea?
The canonical SMILES for 1-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-[(2S)-2-hydroxy-2-phenylethyl]urea is O=C(NC[C@H]1COc2ccccc2C1)NC[C@@H](O)c1ccccc1.
What is the InChIKey of 1-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-[(2S)-2-hydroxy-2-phenylethyl]urea?
The InChIKey is MMMSHBPGFDNURI-WMLDXEAASA-N. The full InChI is InChI=1S/C19H22N2O3/c22-17(15-6-2-1-3-7-15)12-21-19(23)20-11-14-10-16-8-4-5-9-18(16)24-13-14/h1-9,14,17,22H,10-13H2,(H2,20,21,23)/t14-,17+/m0/s1.
What are the key properties of 1-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-[(2S)-2-hydroxy-2-phenylethyl]urea?
1-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-[(2S)-2-hydroxy-2-phenylethyl]urea has a molecular weight of 326.40 g/mol, XLogP of 2.27, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-[(2S)-2-hydroxy-2-phenylethyl]urea is sourced from PubChem (CID 94151870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).