1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[3-(3-methoxyphenyl)propyl]urea

C20H24N2O3 — CID 110929163

IUPAC1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[3-(3-methoxyphenyl)propyl]urea
SMILESCOc1cccc(CCCNC(=O)NC2c3ccccc3CC2O)c1
InChIInChI=1S/C20H24N2O3/c1-25-16-9-4-6-14(12-16)7-5-11-21-20(24)22-19-17-10-3-2-8-15(17)13-18(19)23/h2-4,6,8-10,12,18-19,23H,5,7,11,13H2,1H3,(H2,21,22,24)
InChIKeyNBWYSYFBQLFEFW-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.59
Rot. Bonds6

About 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[3-(3-methoxyphenyl)propyl]urea

1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[3-(3-methoxyphenyl)propyl]urea (PubChem CID 110929163) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[3-(3-methoxyphenyl)propyl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[3-(3-methoxyphenyl)propyl]urea
PubChem CID110929163
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[3-(3-methoxyphenyl)propyl]urea
SMILESCOc1cccc(CCCNC(=O)NC2c3ccccc3CC2O)c1
InChIInChI=1S/C20H24N2O3/c1-25-16-9-4-6-14(12-16)7-5-11-21-20(24)22-19-17-10-3-2-8-15(17)13-18(19)23/h2-4,6,8-10,12,18-19,23H,5,7,11,13H2,1H3,(H2,21,22,24)
InChIKeyNBWYSYFBQLFEFW-UHFFFAOYSA-N
XLogP2.59
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.59
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-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[(3-methoxyphenyl)methyl]urea
CID 110894801
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-phenylethyl)urea
CID 75266020
1-[(3-ethoxyphenyl)methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 110904220
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-pyridin-3-ylethyl)urea
CID 110895671
1-(2-butoxyethyl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 110923399
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(3-methylbutyl)urea
CID 110894408
(E)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(3-methoxyphenyl)prop-2-enamide
CID 110903601
3-(3-methoxyphenyl)-N-(3-phenylpropyl)propanamide
CID 127121905
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[3-[methyl(methylsulfonyl)amino]propyl]urea
CID 51092812
1-(cyclopropylmethyl)-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 110895605
1-amino-N-[3-(3-methoxyphenyl)propyl]cyclopropane-1-carboxamide
CID 119772031
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(2-methoxy-2-methylpropyl)urea
CID 111508614

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[3-(3-methoxyphenyl)propyl]urea?
The IUPAC name of 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[3-(3-methoxyphenyl)propyl]urea (CID 110929163) is 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[3-(3-methoxyphenyl)propyl]urea.
What is the SMILES notation for 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[3-(3-methoxyphenyl)propyl]urea?
The canonical SMILES for 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[3-(3-methoxyphenyl)propyl]urea is COc1cccc(CCCNC(=O)NC2c3ccccc3CC2O)c1.
What is the InChIKey of 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[3-(3-methoxyphenyl)propyl]urea?
The InChIKey is NBWYSYFBQLFEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-25-16-9-4-6-14(12-16)7-5-11-21-20(24)22-19-17-10-3-2-8-15(17)13-18(19)23/h2-4,6,8-10,12,18-19,23H,5,7,11,13H2,1H3,(H2,21,22,24).
What are the key properties of 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[3-(3-methoxyphenyl)propyl]urea?
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[3-(3-methoxyphenyl)propyl]urea has a molecular weight of 340.42 g/mol, XLogP of 2.59, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[3-(3-methoxyphenyl)propyl]urea is sourced from PubChem (CID 110929163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).