(2R)-N-[(2R)-butan-2-yl]-2-[(4-methoxyphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]propanamide

C27H32N2O4 — CID 100619382

IUPAC(2R)-N-[(2R)-butan-2-yl]-2-[(4-methoxyphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]propanamide
SMILESCC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1cccc2ccccc12
InChIInChI=1S/C27H32N2O4/c1-5-19(2)28-27(31)20(3)29(17-21-13-15-23(32-4)16-14-21)26(30)18-33-25-12-8-10-22-9-6-7-11-24(22)25/h6-16,19-20H,5,17-18H2,1-4H3,(H,28,31)/t19-,20-/m1/s1
InChIKeyJRODIMYTYSROGZ-WOJBJXKFSA-N
MW448.56 g/mol
LogP4.56
Rot. Bonds10

About (2R)-N-[(2R)-butan-2-yl]-2-[(4-methoxyphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]propanamide

(2R)-N-[(2R)-butan-2-yl]-2-[(4-methoxyphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]propanamide (PubChem CID 100619382) has the molecular formula C27H32N2O4 and a molecular weight of 448.56 g/mol. Its IUPAC name is (2R)-N-[(2R)-butan-2-yl]-2-[(4-methoxyphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]propanamide.

Molecular Properties

Compound Name(2R)-N-[(2R)-butan-2-yl]-2-[(4-methoxyphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]propanamide
PubChem CID100619382
Molecular FormulaC27H32N2O4
Molecular Weight448.56 g/mol
Exact Mass448.24
IUPAC Name(2R)-N-[(2R)-butan-2-yl]-2-[(4-methoxyphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]propanamide
SMILESCC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1cccc2ccccc12
InChIInChI=1S/C27H32N2O4/c1-5-19(2)28-27(31)20(3)29(17-21-13-15-23(32-4)16-14-21)26(30)18-33-25-12-8-10-22-9-6-7-11-24(22)25/h6-16,19-20H,5,17-18H2,1-4H3,(H,28,31)/t19-,20-/m1/s1
InChIKeyJRODIMYTYSROGZ-WOJBJXKFSA-N
XLogP4.56
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.56
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-[(4-methoxyphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide
CID 132720248
(2R)-2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(2R)-butan-2-yl]propanamide
CID 100619303
(2S)-N-[(2S)-butan-2-yl]-2-[(2-chlorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]propanamide
CID 100555874
(2S)-2-[(4-fluorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-propan-2-ylpropanamide
CID 100688812
(2S)-N-[(2S)-butan-2-yl]-2-[(4-methoxyphenyl)methyl-[2-(4-methylphenoxy)acetyl]amino]propanamide
CID 100623510
N-butan-2-yl-2-[(4-chlorophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide
CID 132712223
(2S)-N-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide
CID 100558855
(2R)-2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-[(3-methoxyphenyl)methyl]amino]-N-[(2R)-butan-2-yl]propanamide
CID 100606258
(2R)-N-[(2R)-butan-2-yl]-2-[(4-chlorophenyl)methyl-[2-(4-methoxyphenoxy)acetyl]amino]propanamide
CID 100558794
(2S)-N-[(2S)-butan-2-yl]-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 100619503
(2S)-N-[(2R)-butan-2-yl]-2-[[2-(4-methoxyphenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide
CID 100599959
N-butan-2-yl-2-[[2-(4-tert-butylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 132718121

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2R)-butan-2-yl]-2-[(4-methoxyphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]propanamide?
The IUPAC name of (2R)-N-[(2R)-butan-2-yl]-2-[(4-methoxyphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]propanamide (CID 100619382) is (2R)-N-[(2R)-butan-2-yl]-2-[(4-methoxyphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]propanamide.
What is the SMILES notation for (2R)-N-[(2R)-butan-2-yl]-2-[(4-methoxyphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]propanamide?
The canonical SMILES for (2R)-N-[(2R)-butan-2-yl]-2-[(4-methoxyphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]propanamide is CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1cccc2ccccc12.
What is the InChIKey of (2R)-N-[(2R)-butan-2-yl]-2-[(4-methoxyphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]propanamide?
The InChIKey is JRODIMYTYSROGZ-WOJBJXKFSA-N. The full InChI is InChI=1S/C27H32N2O4/c1-5-19(2)28-27(31)20(3)29(17-21-13-15-23(32-4)16-14-21)26(30)18-33-25-12-8-10-22-9-6-7-11-24(22)25/h6-16,19-20H,5,17-18H2,1-4H3,(H,28,31)/t19-,20-/m1/s1.
What are the key properties of (2R)-N-[(2R)-butan-2-yl]-2-[(4-methoxyphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]propanamide?
(2R)-N-[(2R)-butan-2-yl]-2-[(4-methoxyphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]propanamide has a molecular weight of 448.56 g/mol, XLogP of 4.56, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2R)-butan-2-yl]-2-[(4-methoxyphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]propanamide is sourced from PubChem (CID 100619382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).