methyl N-[3-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoylamino]phenyl]carbamate

C18H19N3O4 — CID 94152568

IUPACmethyl N-[3-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoylamino]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NC(=O)N[C@H]2CCOc3ccccc32)c1
InChIInChI=1S/C18H19N3O4/c1-24-18(23)20-13-6-4-5-12(11-13)19-17(22)21-15-9-10-25-16-8-3-2-7-14(15)16/h2-8,11,15H,9-10H2,1H3,(H,20,23)(H2,19,21,22)/t15-/m0/s1
InChIKeyGXZCZIWYEMLGPS-HNNXBMFYSA-N
MW341.37 g/mol
LogP3.51
Rot. Bonds3

About methyl N-[3-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoylamino]phenyl]carbamate

methyl N-[3-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoylamino]phenyl]carbamate (PubChem CID 94152568) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is methyl N-[3-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoylamino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoylamino]phenyl]carbamate
PubChem CID94152568
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Namemethyl N-[3-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoylamino]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NC(=O)N[C@H]2CCOc3ccccc32)c1
InChIInChI=1S/C18H19N3O4/c1-24-18(23)20-13-6-4-5-12(11-13)19-17(22)21-15-9-10-25-16-8-3-2-7-14(15)16/h2-8,11,15H,9-10H2,1H3,(H,20,23)(H2,19,21,22)/t15-/m0/s1
InChIKeyGXZCZIWYEMLGPS-HNNXBMFYSA-N
XLogP3.51
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-aminophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)urea
CID 62367144
1-(3,4-dihydro-2H-chromen-4-yl)-3-(3-fluorophenyl)urea
CID 110866586
N-[4-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)phenyl]acetamide
CID 110866526
1-(3,4-dihydro-2H-chromen-4-yl)-3-(2,6-dimethylphenyl)urea
CID 110866349
1-(3,4-dihydro-2H-chromen-4-yl)-3-[6-(dimethylamino)-3-pyridinyl]urea
CID 51082005
3,5-diacetamido-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]benzamide
CID 39952245
1-tert-butyl-3-(3,4-dihydro-2H-chromen-4-yl)urea
CID 110750051
1-(3,4-dihydro-2H-chromen-4-yl)-3-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]urea
CID 55695771
1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(6-methylsulfonyl-3-pyridinyl)urea
CID 94177707
[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 3-acetamidobenzoate
CID 17397287
N-(3,4-dihydro-2H-chromen-4-yl)-2-methylcyclopropane-1-carboxamide
CID 16559700
phenyl N-(3,4-dihydro-2H-chromen-4-yl)carbamate
CID 60655546

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoylamino]phenyl]carbamate?
The IUPAC name of methyl N-[3-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoylamino]phenyl]carbamate (CID 94152568) is methyl N-[3-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoylamino]phenyl]carbamate.
What is the SMILES notation for methyl N-[3-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoylamino]phenyl]carbamate?
The canonical SMILES for methyl N-[3-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoylamino]phenyl]carbamate is COC(=O)Nc1cccc(NC(=O)N[C@H]2CCOc3ccccc32)c1.
What is the InChIKey of methyl N-[3-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoylamino]phenyl]carbamate?
The InChIKey is GXZCZIWYEMLGPS-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-24-18(23)20-13-6-4-5-12(11-13)19-17(22)21-15-9-10-25-16-8-3-2-7-14(15)16/h2-8,11,15H,9-10H2,1H3,(H,20,23)(H2,19,21,22)/t15-/m0/s1.
What are the key properties of methyl N-[3-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoylamino]phenyl]carbamate?
methyl N-[3-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoylamino]phenyl]carbamate has a molecular weight of 341.37 g/mol, XLogP of 3.51, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoylamino]phenyl]carbamate is sourced from PubChem (CID 94152568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).