acetic acid;3-methoxy-N-(naphthalen-1-ylmethyl)-2-[[2-(3-phenylpropanoylamino)acetyl]amino]propanamide

C28H33N3O6 — CID 144886390

IUPACacetic acid;3-methoxy-N-(naphthalen-1-ylmethyl)-2-[[2-(3-phenylpropanoylamino)acetyl]amino]propanamide
SMILESCC(=O)O.COCC(NC(=O)CNC(=O)CCc1ccccc1)C(=O)NCc1cccc2ccccc12
InChIInChI=1S/C26H29N3O4.C2H4O2/c1-33-18-23(26(32)28-16-21-12-7-11-20-10-5-6-13-22(20)21)29-25(31)17-27-24(30)15-14-19-8-3-2-4-9-19;1-2(3)4/h2-13,23H,14-18H2,1H3,(H,27,30)(H,28,32)(H,29,31);1H3,(H,3,4)
InChIKeyBDVUKOOEIBGQOQ-UHFFFAOYSA-N
MW507.59 g/mol
LogP2.43
Rot. Bonds11

About acetic acid;3-methoxy-N-(naphthalen-1-ylmethyl)-2-[[2-(3-phenylpropanoylamino)acetyl]amino]propanamide

acetic acid;3-methoxy-N-(naphthalen-1-ylmethyl)-2-[[2-(3-phenylpropanoylamino)acetyl]amino]propanamide (PubChem CID 144886390) has the molecular formula C28H33N3O6 and a molecular weight of 507.59 g/mol. Its IUPAC name is acetic acid;3-methoxy-N-(naphthalen-1-ylmethyl)-2-[[2-(3-phenylpropanoylamino)acetyl]amino]propanamide.

Molecular Properties

Compound Nameacetic acid;3-methoxy-N-(naphthalen-1-ylmethyl)-2-[[2-(3-phenylpropanoylamino)acetyl]amino]propanamide
PubChem CID144886390
Molecular FormulaC28H33N3O6
Molecular Weight507.59 g/mol
Exact Mass507.24
IUPAC Nameacetic acid;3-methoxy-N-(naphthalen-1-ylmethyl)-2-[[2-(3-phenylpropanoylamino)acetyl]amino]propanamide
SMILESCC(=O)O.COCC(NC(=O)CNC(=O)CCc1ccccc1)C(=O)NCc1cccc2ccccc12
InChIInChI=1S/C26H29N3O4.C2H4O2/c1-33-18-23(26(32)28-16-21-12-7-11-20-10-5-6-13-22(20)21)29-25(31)17-27-24(30)15-14-19-8-3-2-4-9-19;1-2(3)4/h2-13,23H,14-18H2,1H3,(H,27,30)(H,28,32)(H,29,31);1H3,(H,3,4)
InChIKeyBDVUKOOEIBGQOQ-UHFFFAOYSA-N
XLogP2.43
TPSA133.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.59
LogP ≤ 52.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl acetate;3-methoxy-N-(naphthalen-1-ylmethyl)-2-[[2-(3-phenylpropanoylamino)acetyl]amino]propanamide
CID 144886361
(2R,5S)-6-methoxy-2-methyl-N-(naphthalen-1-ylmethyl)-4-oxo-5-(3-phenylpropanoylamino)hexanamide
CID 158584949
(2S)-N',N'-diethyl-N-[(2S)-3-methoxy-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]-2-(3-phenylpropanoylamino)butanediamide
CID 123132922
acetic acid;3-methoxy-2-[[2-(3-phenylpropanoylamino)acetyl]amino]-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propanamide
CID 144886328
(2S)-4-(azetidin-1-yl)-N-[(2S)-3-methoxy-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]-4-oxo-2-(3-phenylpropanoylamino)butanamide
CID 162663520
N'-hydroxy-N-[3-methoxy-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]-2-(4-phenylbutanoylamino)butanediamide
CID 123162957
(3S)-4-[[(2S)-1-[(2,3-dimethoxyphenyl)methylamino]-3-methoxy-1-oxopropan-2-yl]amino]-4-oxo-3-(3-phenylpropanoylamino)butanoic acid
CID 118226606
(3S)-4-[[(2S)-3-methoxy-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]amino]-4-oxo-3-(3-phenylpropylamino)butanoic acid
CID 118226695
(2S)-N-benzyl-2-[(2-iodoacetyl)amino]-3-methoxypropanamide
CID 172598061
(2S)-2-amino-N-[(2S)-3-methoxy-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]butanamide
CID 139397810
(2S)-N-benzyl-2-[[2-(ethylamino)acetyl]amino]-3-methoxypropanamide
CID 10979254
2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-[(2R)-1-(benzylamino)-3-methoxy-1-oxopropan-2-yl]carbamate
CID 56960724

Frequently Asked Questions

What is the IUPAC name of acetic acid;3-methoxy-N-(naphthalen-1-ylmethyl)-2-[[2-(3-phenylpropanoylamino)acetyl]amino]propanamide?
The IUPAC name of acetic acid;3-methoxy-N-(naphthalen-1-ylmethyl)-2-[[2-(3-phenylpropanoylamino)acetyl]amino]propanamide (CID 144886390) is acetic acid;3-methoxy-N-(naphthalen-1-ylmethyl)-2-[[2-(3-phenylpropanoylamino)acetyl]amino]propanamide.
What is the SMILES notation for acetic acid;3-methoxy-N-(naphthalen-1-ylmethyl)-2-[[2-(3-phenylpropanoylamino)acetyl]amino]propanamide?
The canonical SMILES for acetic acid;3-methoxy-N-(naphthalen-1-ylmethyl)-2-[[2-(3-phenylpropanoylamino)acetyl]amino]propanamide is CC(=O)O.COCC(NC(=O)CNC(=O)CCc1ccccc1)C(=O)NCc1cccc2ccccc12.
What is the InChIKey of acetic acid;3-methoxy-N-(naphthalen-1-ylmethyl)-2-[[2-(3-phenylpropanoylamino)acetyl]amino]propanamide?
The InChIKey is BDVUKOOEIBGQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4.C2H4O2/c1-33-18-23(26(32)28-16-21-12-7-11-20-10-5-6-13-22(20)21)29-25(31)17-27-24(30)15-14-19-8-3-2-4-9-19;1-2(3)4/h2-13,23H,14-18H2,1H3,(H,27,30)(H,28,32)(H,29,31);1H3,(H,3,4).
What are the key properties of acetic acid;3-methoxy-N-(naphthalen-1-ylmethyl)-2-[[2-(3-phenylpropanoylamino)acetyl]amino]propanamide?
acetic acid;3-methoxy-N-(naphthalen-1-ylmethyl)-2-[[2-(3-phenylpropanoylamino)acetyl]amino]propanamide has a molecular weight of 507.59 g/mol, XLogP of 2.43, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;3-methoxy-N-(naphthalen-1-ylmethyl)-2-[[2-(3-phenylpropanoylamino)acetyl]amino]propanamide is sourced from PubChem (CID 144886390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).