1-(3,4-dihydro-2H-chromen-4-yl)-3-[2-(dimethylamino)ethyl]urea

C14H21N3O2 — CID 110866006

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-3-[2-(dimethylamino)ethyl]urea
SMILESCN(C)CCNC(=O)NC1CCOc2ccccc21
InChIInChI=1S/C14H21N3O2/c1-17(2)9-8-15-14(18)16-12-7-10-19-13-6-4-3-5-11(12)13/h3-6,12H,7-10H2,1-2H3,(H2,15,16,18)
InChIKeySQBCAEHSAIORKS-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.37
Rot. Bonds4

About 1-(3,4-dihydro-2H-chromen-4-yl)-3-[2-(dimethylamino)ethyl]urea

1-(3,4-dihydro-2H-chromen-4-yl)-3-[2-(dimethylamino)ethyl]urea (PubChem CID 110866006) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)-3-[2-(dimethylamino)ethyl]urea.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-3-[2-(dimethylamino)ethyl]urea
PubChem CID110866006
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-3-[2-(dimethylamino)ethyl]urea
SMILESCN(C)CCNC(=O)NC1CCOc2ccccc21
InChIInChI=1S/C14H21N3O2/c1-17(2)9-8-15-14(18)16-12-7-10-19-13-6-4-3-5-11(12)13/h3-6,12H,7-10H2,1-2H3,(H2,15,16,18)
InChIKeySQBCAEHSAIORKS-UHFFFAOYSA-N
XLogP1.37
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(2-hydroxyethyl)urea
CID 97083391
1-(3,4-dihydro-2H-chromen-4-yl)-3-(3-phenylprop-2-ynyl)urea
CID 51077520
1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[2-(pyridin-2-ylamino)ethyl]urea
CID 94055209
1-(3,4-dihydro-2H-chromen-4-yl)-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936462
1-tert-butyl-3-(3,4-dihydro-2H-chromen-4-yl)urea
CID 110750051
1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 94026794
1-(3,4-dihydro-2H-chromen-4-yl)-3-[(2-fluorophenyl)methyl]urea
CID 110866066
1-(3,4-dihydro-2H-chromen-4-yl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]urea
CID 167867977
1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[3-[(5-methyl-2-pyridinyl)amino]propyl]urea
CID 51957688
N-[4-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)phenyl]acetamide
CID 110866526
N-(3,4-dihydro-2H-chromen-4-yl)-2-methylcyclopropane-1-carboxamide
CID 16559700
2-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)propanoic acid
CID 55063461

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-3-[2-(dimethylamino)ethyl]urea?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-3-[2-(dimethylamino)ethyl]urea (CID 110866006) is 1-(3,4-dihydro-2H-chromen-4-yl)-3-[2-(dimethylamino)ethyl]urea.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-3-[2-(dimethylamino)ethyl]urea?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-3-[2-(dimethylamino)ethyl]urea is CN(C)CCNC(=O)NC1CCOc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-3-[2-(dimethylamino)ethyl]urea?
The InChIKey is SQBCAEHSAIORKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-17(2)9-8-15-14(18)16-12-7-10-19-13-6-4-3-5-11(12)13/h3-6,12H,7-10H2,1-2H3,(H2,15,16,18).
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-3-[2-(dimethylamino)ethyl]urea?
1-(3,4-dihydro-2H-chromen-4-yl)-3-[2-(dimethylamino)ethyl]urea has a molecular weight of 263.34 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-yl)-3-[2-(dimethylamino)ethyl]urea is sourced from PubChem (CID 110866006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).