4-[[(2S)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]propanoyl]amino]benzamide

C23H25N3O3 — CID 9054222

IUPAC4-[[(2S)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]propanoyl]amino]benzamide
SMILESCOc1ccc2cc(CN(C)[C@@H](C)C(=O)Nc3ccc(C(N)=O)cc3)ccc2c1
InChIInChI=1S/C23H25N3O3/c1-15(23(28)25-20-9-6-17(7-10-20)22(24)27)26(2)14-16-4-5-19-13-21(29-3)11-8-18(19)12-16/h4-13,15H,14H2,1-3H3,(H2,24,27)(H,25,28)/t15-/m0/s1
InChIKeyVDXMKPVKCCKFGV-HNNXBMFYSA-N
MW391.47 g/mol
LogP3.41
Rot. Bonds7

About 4-[[(2S)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]propanoyl]amino]benzamide

4-[[(2S)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]propanoyl]amino]benzamide (PubChem CID 9054222) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 4-[[(2S)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]propanoyl]amino]benzamide.

Molecular Properties

Compound Name4-[[(2S)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]propanoyl]amino]benzamide
PubChem CID9054222
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name4-[[(2S)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]propanoyl]amino]benzamide
SMILESCOc1ccc2cc(CN(C)[C@@H](C)C(=O)Nc3ccc(C(N)=O)cc3)ccc2c1
InChIInChI=1S/C23H25N3O3/c1-15(23(28)25-20-9-6-17(7-10-20)22(24)27)26(2)14-16-4-5-19-13-21(29-3)11-8-18(19)12-16/h4-13,15H,14H2,1-3H3,(H2,24,27)(H,25,28)/t15-/m0/s1
InChIKeyVDXMKPVKCCKFGV-HNNXBMFYSA-N
XLogP3.41
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2S)-2-[(3-methoxyphenyl)methyl-methylamino]propanoyl]amino]benzamide
CID 8514410
(2R)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(3-methylphenyl)propanamide
CID 25482866
4-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanoylamino]benzamide
CID 17424194
(2S)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(2-methoxyphenyl)propanamide
CID 9054255
4-[2-[(3-fluorophenyl)methyl-methylamino]propanoylamino]benzamide
CID 17424193
(2R)-2-[(4-methoxyphenyl)methyl-methylamino]-N-(3-methylphenyl)propanamide
CID 8760980
(2R)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N,N-dimethylpropanamide
CID 8925163
4-[[(2S)-2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]propanoyl]amino]benzamide
CID 51939505
4-[2-[(6-amino-3-pyridinyl)methyl-methylamino]propanoylamino]benzamide
CID 167951786
(2R)-N-[(4-fluorophenyl)methyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]propanamide
CID 41375901
2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]-N-naphthalen-2-ylpropanamide
CID 55628174
(2S)-2-[(4-bromophenyl)methyl-methylamino]-N-(3-methoxyphenyl)propanamide
CID 9039901

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]propanoyl]amino]benzamide?
The IUPAC name of 4-[[(2S)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]propanoyl]amino]benzamide (CID 9054222) is 4-[[(2S)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]propanoyl]amino]benzamide.
What is the SMILES notation for 4-[[(2S)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]propanoyl]amino]benzamide?
The canonical SMILES for 4-[[(2S)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]propanoyl]amino]benzamide is COc1ccc2cc(CN(C)[C@@H](C)C(=O)Nc3ccc(C(N)=O)cc3)ccc2c1.
What is the InChIKey of 4-[[(2S)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]propanoyl]amino]benzamide?
The InChIKey is VDXMKPVKCCKFGV-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-15(23(28)25-20-9-6-17(7-10-20)22(24)27)26(2)14-16-4-5-19-13-21(29-3)11-8-18(19)12-16/h4-13,15H,14H2,1-3H3,(H2,24,27)(H,25,28)/t15-/m0/s1.
What are the key properties of 4-[[(2S)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]propanoyl]amino]benzamide?
4-[[(2S)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]propanoyl]amino]benzamide has a molecular weight of 391.47 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]propanoyl]amino]benzamide is sourced from PubChem (CID 9054222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).