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

C20H24N2O3 — CID 124621310

IUPAC1-[[(4S)-3,4-dihydro-2H-chromen-4-yl]methyl]-3-[2-(2-methoxyethyl)phenyl]urea
SMILESCOCCc1ccccc1NC(=O)NC[C@H]1CCOc2ccccc21
InChIInChI=1S/C20H24N2O3/c1-24-12-10-15-6-2-4-8-18(15)22-20(23)21-14-16-11-13-25-19-9-5-3-7-17(16)19/h2-9,16H,10-14H2,1H3,(H2,21,22,23)/t16-/m1/s1
InChIKeyUFEPQEQNXIDSLK-MRXNPFEDSA-N
MW340.42 g/mol
LogP3.56
Rot. Bonds6

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

1-[[(4S)-3,4-dihydro-2H-chromen-4-yl]methyl]-3-[2-(2-methoxyethyl)phenyl]urea (PubChem CID 124621310) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-[[(4S)-3,4-dihydro-2H-chromen-4-yl]methyl]-3-[2-(2-methoxyethyl)phenyl]urea.

Molecular Properties

Compound Name1-[[(4S)-3,4-dihydro-2H-chromen-4-yl]methyl]-3-[2-(2-methoxyethyl)phenyl]urea
PubChem CID124621310
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name1-[[(4S)-3,4-dihydro-2H-chromen-4-yl]methyl]-3-[2-(2-methoxyethyl)phenyl]urea
SMILESCOCCc1ccccc1NC(=O)NC[C@H]1CCOc2ccccc21
InChIInChI=1S/C20H24N2O3/c1-24-12-10-15-6-2-4-8-18(15)22-20(23)21-14-16-11-13-25-19-9-5-3-7-17(16)19/h2-9,16H,10-14H2,1H3,(H2,21,22,23)/t16-/m1/s1
InChIKeyUFEPQEQNXIDSLK-MRXNPFEDSA-N
XLogP3.56
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide
CID 110709223
1-benzyl-3-(3,4-dihydro-2H-chromen-4-ylmethyl)urea
CID 110746942
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methylbenzamide
CID 110709241
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methoxybutan-1-amine
CID 115756534
2-(cyclopropylmethylamino)-N-[2-(2-methoxyethyl)phenyl]acetamide
CID 102905776
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-thiophen-2-ylacetamide
CID 110709252
1-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)methanamine
CID 63708653
4-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methoxybutanamide
CID 120590979
3-[[2-(2-methoxyethyl)phenyl]carbamoylamino]propanoic acid
CID 102907015
2-(cyclopropylmethylamino)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide;hydrochloride
CID 119762189
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-fluorobenzamide
CID 110709244
1-acetyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidine-4-carboxamide
CID 110741365

Frequently Asked Questions

What is the IUPAC name of 1-[[(4S)-3,4-dihydro-2H-chromen-4-yl]methyl]-3-[2-(2-methoxyethyl)phenyl]urea?
The IUPAC name of 1-[[(4S)-3,4-dihydro-2H-chromen-4-yl]methyl]-3-[2-(2-methoxyethyl)phenyl]urea (CID 124621310) is 1-[[(4S)-3,4-dihydro-2H-chromen-4-yl]methyl]-3-[2-(2-methoxyethyl)phenyl]urea.
What is the SMILES notation for 1-[[(4S)-3,4-dihydro-2H-chromen-4-yl]methyl]-3-[2-(2-methoxyethyl)phenyl]urea?
The canonical SMILES for 1-[[(4S)-3,4-dihydro-2H-chromen-4-yl]methyl]-3-[2-(2-methoxyethyl)phenyl]urea is COCCc1ccccc1NC(=O)NC[C@H]1CCOc2ccccc21.
What is the InChIKey of 1-[[(4S)-3,4-dihydro-2H-chromen-4-yl]methyl]-3-[2-(2-methoxyethyl)phenyl]urea?
The InChIKey is UFEPQEQNXIDSLK-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-24-12-10-15-6-2-4-8-18(15)22-20(23)21-14-16-11-13-25-19-9-5-3-7-17(16)19/h2-9,16H,10-14H2,1H3,(H2,21,22,23)/t16-/m1/s1.
What are the key properties of 1-[[(4S)-3,4-dihydro-2H-chromen-4-yl]methyl]-3-[2-(2-methoxyethyl)phenyl]urea?
1-[[(4S)-3,4-dihydro-2H-chromen-4-yl]methyl]-3-[2-(2-methoxyethyl)phenyl]urea has a molecular weight of 340.42 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4S)-3,4-dihydro-2H-chromen-4-yl]methyl]-3-[2-(2-methoxyethyl)phenyl]urea is sourced from PubChem (CID 124621310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).