ethyl N-[4-[[(2R,3R)-2-ethyl-3-hydroxybutanoyl]amino]phenyl]carbamate

C15H22N2O4 — CID 99794465

IUPACethyl N-[4-[[(2R,3R)-2-ethyl-3-hydroxybutanoyl]amino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(=O)[C@H](CC)[C@@H](C)O)cc1
InChIInChI=1S/C15H22N2O4/c1-4-13(10(3)18)14(19)16-11-6-8-12(9-7-11)17-15(20)21-5-2/h6-10,13,18H,4-5H2,1-3H3,(H,16,19)(H,17,20)/t10-,13-/m1/s1
InChIKeyQHCVURKACRZPBX-ZWNOBZJWSA-N
MW294.35 g/mol
LogP2.60
Rot. Bonds6

About ethyl N-[4-[[(2R,3R)-2-ethyl-3-hydroxybutanoyl]amino]phenyl]carbamate

ethyl N-[4-[[(2R,3R)-2-ethyl-3-hydroxybutanoyl]amino]phenyl]carbamate (PubChem CID 99794465) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is ethyl N-[4-[[(2R,3R)-2-ethyl-3-hydroxybutanoyl]amino]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[[(2R,3R)-2-ethyl-3-hydroxybutanoyl]amino]phenyl]carbamate
PubChem CID99794465
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Nameethyl N-[4-[[(2R,3R)-2-ethyl-3-hydroxybutanoyl]amino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(=O)[C@H](CC)[C@@H](C)O)cc1
InChIInChI=1S/C15H22N2O4/c1-4-13(10(3)18)14(19)16-11-6-8-12(9-7-11)17-15(20)21-5-2/h6-10,13,18H,4-5H2,1-3H3,(H,16,19)(H,17,20)/t10-,13-/m1/s1
InChIKeyQHCVURKACRZPBX-ZWNOBZJWSA-N
XLogP2.60
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[[(2R,3R)-2-ethyl-3-hydroxybutanoyl]amino]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[[(2R,3R)-2-ethyl-3-hydroxybutanoyl]amino]phenyl]carbamate (CID 99794465) is ethyl N-[4-[[(2R,3R)-2-ethyl-3-hydroxybutanoyl]amino]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[[(2R,3R)-2-ethyl-3-hydroxybutanoyl]amino]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[[(2R,3R)-2-ethyl-3-hydroxybutanoyl]amino]phenyl]carbamate is CCOC(=O)Nc1ccc(NC(=O)[C@H](CC)[C@@H](C)O)cc1.
What is the InChIKey of ethyl N-[4-[[(2R,3R)-2-ethyl-3-hydroxybutanoyl]amino]phenyl]carbamate?
The InChIKey is QHCVURKACRZPBX-ZWNOBZJWSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-4-13(10(3)18)14(19)16-11-6-8-12(9-7-11)17-15(20)21-5-2/h6-10,13,18H,4-5H2,1-3H3,(H,16,19)(H,17,20)/t10-,13-/m1/s1.
What are the key properties of ethyl N-[4-[[(2R,3R)-2-ethyl-3-hydroxybutanoyl]amino]phenyl]carbamate?
ethyl N-[4-[[(2R,3R)-2-ethyl-3-hydroxybutanoyl]amino]phenyl]carbamate has a molecular weight of 294.35 g/mol, XLogP of 2.60, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[[(2R,3R)-2-ethyl-3-hydroxybutanoyl]amino]phenyl]carbamate is sourced from PubChem (CID 99794465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).