(2S)-2-[(3-methoxyphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-propylpropanamide

C26H30N2O4 — CID 100521307

IUPAC(2S)-2-[(3-methoxyphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-propylpropanamide
SMILESCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)COc1cccc2ccccc12
InChIInChI=1S/C26H30N2O4/c1-4-15-27-26(30)19(2)28(17-20-9-7-12-22(16-20)31-3)25(29)18-32-24-14-8-11-21-10-5-6-13-23(21)24/h5-14,16,19H,4,15,17-18H2,1-3H3,(H,27,30)/t19-/m0/s1
InChIKeyBLBKVZZAZYGBFP-IBGZPJMESA-N
MW434.54 g/mol
LogP4.17
Rot. Bonds10

About (2S)-2-[(3-methoxyphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-propylpropanamide

(2S)-2-[(3-methoxyphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-propylpropanamide (PubChem CID 100521307) has the molecular formula C26H30N2O4 and a molecular weight of 434.54 g/mol. Its IUPAC name is (2S)-2-[(3-methoxyphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(3-methoxyphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-propylpropanamide
PubChem CID100521307
Molecular FormulaC26H30N2O4
Molecular Weight434.54 g/mol
Exact Mass434.22
IUPAC Name(2S)-2-[(3-methoxyphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-propylpropanamide
SMILESCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)COc1cccc2ccccc12
InChIInChI=1S/C26H30N2O4/c1-4-15-27-26(30)19(2)28(17-20-9-7-12-22(16-20)31-3)25(29)18-32-24-14-8-11-21-10-5-6-13-23(21)24/h5-14,16,19H,4,15,17-18H2,1-3H3,(H,27,30)/t19-/m0/s1
InChIKeyBLBKVZZAZYGBFP-IBGZPJMESA-N
XLogP4.17
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl-(2-naphthalen-1-yloxyacetyl)amino]-N-propylpropanamide
CID 132662254
2-[(3-bromophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-propylpropanamide
CID 132617171
2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-[(3-methoxyphenyl)methyl]amino]-N-butylpropanamide
CID 132732897
N-ethyl-2-[(3-methoxyphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide
CID 132670146
2-[(3-methoxyphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propylpropanamide
CID 132669603
(2R)-2-[[2-(2,4-dichlorophenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-propylpropanamide
CID 100516516
N-ethyl-2-[(3-methoxyphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]propanamide
CID 132664171
N-butyl-2-[[2-(2-tert-butylphenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide
CID 132718138
(2R)-2-[[2-(2-methoxyphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-propylpropanamide
CID 100523170
(2R)-N-cyclohexyl-2-[(3-methoxyphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide
CID 100592578
(2R)-2-[[2-(4-methoxyphenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-propylpropanamide
CID 100521771
2-[(3-methoxyphenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-N-methylpropanamide
CID 132655551

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-methoxyphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-propylpropanamide?
The IUPAC name of (2S)-2-[(3-methoxyphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-propylpropanamide (CID 100521307) is (2S)-2-[(3-methoxyphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-propylpropanamide.
What is the SMILES notation for (2S)-2-[(3-methoxyphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-propylpropanamide?
The canonical SMILES for (2S)-2-[(3-methoxyphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-propylpropanamide is CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)COc1cccc2ccccc12.
What is the InChIKey of (2S)-2-[(3-methoxyphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-propylpropanamide?
The InChIKey is BLBKVZZAZYGBFP-IBGZPJMESA-N. The full InChI is InChI=1S/C26H30N2O4/c1-4-15-27-26(30)19(2)28(17-20-9-7-12-22(16-20)31-3)25(29)18-32-24-14-8-11-21-10-5-6-13-23(21)24/h5-14,16,19H,4,15,17-18H2,1-3H3,(H,27,30)/t19-/m0/s1.
What are the key properties of (2S)-2-[(3-methoxyphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-propylpropanamide?
(2S)-2-[(3-methoxyphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-propylpropanamide has a molecular weight of 434.54 g/mol, XLogP of 4.17, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-methoxyphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-propylpropanamide is sourced from PubChem (CID 100521307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).