(2R)-N-[4-(2-amino-2-oxoethoxy)phenyl]-2-methoxy-2-methylheptanamide

C17H26N2O4 — CID 100701491

IUPAC(2R)-N-[4-(2-amino-2-oxoethoxy)phenyl]-2-methoxy-2-methylheptanamide
SMILESCCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC(N)=O)cc1
InChIInChI=1S/C17H26N2O4/c1-4-5-6-11-17(2,22-3)16(21)19-13-7-9-14(10-8-13)23-12-15(18)20/h7-10H,4-6,11-12H2,1-3H3,(H2,18,20)(H,19,21)/t17-/m1/s1
InChIKeyAFPWHEWGRRTDFO-QGZVFWFLSA-N
MW322.41 g/mol
LogP2.47
Rot. Bonds10

About (2R)-N-[4-(2-amino-2-oxoethoxy)phenyl]-2-methoxy-2-methylheptanamide

(2R)-N-[4-(2-amino-2-oxoethoxy)phenyl]-2-methoxy-2-methylheptanamide (PubChem CID 100701491) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is (2R)-N-[4-(2-amino-2-oxoethoxy)phenyl]-2-methoxy-2-methylheptanamide.

Molecular Properties

Compound Name(2R)-N-[4-(2-amino-2-oxoethoxy)phenyl]-2-methoxy-2-methylheptanamide
PubChem CID100701491
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name(2R)-N-[4-(2-amino-2-oxoethoxy)phenyl]-2-methoxy-2-methylheptanamide
SMILESCCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC(N)=O)cc1
InChIInChI=1S/C17H26N2O4/c1-4-5-6-11-17(2,22-3)16(21)19-13-7-9-14(10-8-13)23-12-15(18)20/h7-10H,4-6,11-12H2,1-3H3,(H2,18,20)(H,19,21)/t17-/m1/s1
InChIKeyAFPWHEWGRRTDFO-QGZVFWFLSA-N
XLogP2.47
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-amino-2-oxoethoxy)phenyl]-2-methoxy-2-methylbutanamide
CID 133245864
(2S)-N-(4-ethoxyphenyl)-2-methoxy-2-methylheptanamide
CID 100701232
(2R)-2-methoxy-2-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]heptanamide
CID 100701546
2-[4-[[(2R)-2-methoxy-2-methylpentanoyl]amino]phenoxy]acetic acid
CID 100696982
(2S)-2-methoxy-2-methyl-N-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]heptanamide
CID 100701949
N-(4-butoxyphenyl)-2-methoxy-2-methylbutanamide
CID 133245858
N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2-methylhexanamide
CID 133246014
(2S)-2-methoxy-2-methyl-N-(4-propoxyphenyl)pentanamide
CID 100696786
N-[4-(2-ethoxyethoxy)phenyl]-2-methoxy-2-methylhexanamide
CID 133167167
(2R)-2-methoxy-2-methyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]heptanamide
CID 100701698
(2S)-2-methoxy-2-methyl-N-(4-propan-2-yloxyphenyl)hexanamide
CID 100699590
(2S)-2-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-2-methylheptanamide
CID 100728823

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(2-amino-2-oxoethoxy)phenyl]-2-methoxy-2-methylheptanamide?
The IUPAC name of (2R)-N-[4-(2-amino-2-oxoethoxy)phenyl]-2-methoxy-2-methylheptanamide (CID 100701491) is (2R)-N-[4-(2-amino-2-oxoethoxy)phenyl]-2-methoxy-2-methylheptanamide.
What is the SMILES notation for (2R)-N-[4-(2-amino-2-oxoethoxy)phenyl]-2-methoxy-2-methylheptanamide?
The canonical SMILES for (2R)-N-[4-(2-amino-2-oxoethoxy)phenyl]-2-methoxy-2-methylheptanamide is CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC(N)=O)cc1.
What is the InChIKey of (2R)-N-[4-(2-amino-2-oxoethoxy)phenyl]-2-methoxy-2-methylheptanamide?
The InChIKey is AFPWHEWGRRTDFO-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-4-5-6-11-17(2,22-3)16(21)19-13-7-9-14(10-8-13)23-12-15(18)20/h7-10H,4-6,11-12H2,1-3H3,(H2,18,20)(H,19,21)/t17-/m1/s1.
What are the key properties of (2R)-N-[4-(2-amino-2-oxoethoxy)phenyl]-2-methoxy-2-methylheptanamide?
(2R)-N-[4-(2-amino-2-oxoethoxy)phenyl]-2-methoxy-2-methylheptanamide has a molecular weight of 322.41 g/mol, XLogP of 2.47, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(2-amino-2-oxoethoxy)phenyl]-2-methoxy-2-methylheptanamide is sourced from PubChem (CID 100701491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).