2-methoxyethyl N-[3-[[(2R)-1-hydroxybutan-2-yl]carbamoylamino]phenyl]carbamate

C15H23N3O5 — CID 95583256

IUPAC2-methoxyethyl N-[3-[[(2R)-1-hydroxybutan-2-yl]carbamoylamino]phenyl]carbamate
SMILESCC[C@H](CO)NC(=O)Nc1cccc(NC(=O)OCCOC)c1
InChIInChI=1S/C15H23N3O5/c1-3-11(10-19)16-14(20)17-12-5-4-6-13(9-12)18-15(21)23-8-7-22-2/h4-6,9,11,19H,3,7-8,10H2,1-2H3,(H,18,21)(H2,16,17,20)/t11-/m1/s1
InChIKeyRQLNNSUYTZGLLN-LLVKDONJSA-N
MW325.37 g/mol
LogP1.77
Rot. Bonds8

About 2-methoxyethyl N-[3-[[(2R)-1-hydroxybutan-2-yl]carbamoylamino]phenyl]carbamate

2-methoxyethyl N-[3-[[(2R)-1-hydroxybutan-2-yl]carbamoylamino]phenyl]carbamate (PubChem CID 95583256) has the molecular formula C15H23N3O5 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-methoxyethyl N-[3-[[(2R)-1-hydroxybutan-2-yl]carbamoylamino]phenyl]carbamate.

Molecular Properties

Compound Name2-methoxyethyl N-[3-[[(2R)-1-hydroxybutan-2-yl]carbamoylamino]phenyl]carbamate
PubChem CID95583256
Molecular FormulaC15H23N3O5
Molecular Weight325.37 g/mol
Exact Mass325.16
IUPAC Name2-methoxyethyl N-[3-[[(2R)-1-hydroxybutan-2-yl]carbamoylamino]phenyl]carbamate
SMILESCC[C@H](CO)NC(=O)Nc1cccc(NC(=O)OCCOC)c1
InChIInChI=1S/C15H23N3O5/c1-3-11(10-19)16-14(20)17-12-5-4-6-13(9-12)18-15(21)23-8-7-22-2/h4-6,9,11,19H,3,7-8,10H2,1-2H3,(H,18,21)(H2,16,17,20)/t11-/m1/s1
InChIKeyRQLNNSUYTZGLLN-LLVKDONJSA-N
XLogP1.77
TPSA108.92 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1-hydroxy-3-methylpentan-2-yl)-3-[3-(2-methoxyethoxy)phenyl]urea
CID 56795144
2-(phenylcarbamoylamino)butyl N-phenylcarbamate
CID 123547961
1-(1-hydroxy-3-methoxypropan-2-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 106184189
1-[3-[(dimethylamino)methyl]phenyl]-3-(1-hydroxybutan-2-yl)urea
CID 47202599
1-(1-hydroxybutan-2-yl)-3-[3-[methyl(propan-2-yl)amino]phenyl]urea
CID 111111753
2-methoxyethyl N-(3-methylsulfanylphenyl)carbamate
CID 146357329
1-(3,4-dimethylphenyl)-3-(1-hydroxybutan-2-yl)urea
CID 108894071
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
methyl N-[3-[[(2S)-pentan-2-yl]carbamoylamino]phenyl]carbamate
CID 94152562
tert-butyl N-[3-(1-methoxybutan-2-ylamino)phenyl]carbamate
CID 107239913
2-methoxyethyl N-[3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]phenyl]carbamate
CID 47077792
2-[(3-methylphenyl)carbamoyloxy]ethyl N-(3-methylphenyl)carbamate
CID 176596945

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl N-[3-[[(2R)-1-hydroxybutan-2-yl]carbamoylamino]phenyl]carbamate?
The IUPAC name of 2-methoxyethyl N-[3-[[(2R)-1-hydroxybutan-2-yl]carbamoylamino]phenyl]carbamate (CID 95583256) is 2-methoxyethyl N-[3-[[(2R)-1-hydroxybutan-2-yl]carbamoylamino]phenyl]carbamate.
What is the SMILES notation for 2-methoxyethyl N-[3-[[(2R)-1-hydroxybutan-2-yl]carbamoylamino]phenyl]carbamate?
The canonical SMILES for 2-methoxyethyl N-[3-[[(2R)-1-hydroxybutan-2-yl]carbamoylamino]phenyl]carbamate is CC[C@H](CO)NC(=O)Nc1cccc(NC(=O)OCCOC)c1.
What is the InChIKey of 2-methoxyethyl N-[3-[[(2R)-1-hydroxybutan-2-yl]carbamoylamino]phenyl]carbamate?
The InChIKey is RQLNNSUYTZGLLN-LLVKDONJSA-N. The full InChI is InChI=1S/C15H23N3O5/c1-3-11(10-19)16-14(20)17-12-5-4-6-13(9-12)18-15(21)23-8-7-22-2/h4-6,9,11,19H,3,7-8,10H2,1-2H3,(H,18,21)(H2,16,17,20)/t11-/m1/s1.
What are the key properties of 2-methoxyethyl N-[3-[[(2R)-1-hydroxybutan-2-yl]carbamoylamino]phenyl]carbamate?
2-methoxyethyl N-[3-[[(2R)-1-hydroxybutan-2-yl]carbamoylamino]phenyl]carbamate has a molecular weight of 325.37 g/mol, XLogP of 1.77, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl N-[3-[[(2R)-1-hydroxybutan-2-yl]carbamoylamino]phenyl]carbamate is sourced from PubChem (CID 95583256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).