2-amino-N-benzyl-N-[(1S,2S)-2-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C27H30N2O2 — CID 70031718

IUPAC2-amino-N-benzyl-N-[(1S,2S)-2-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCOc1ccccc1C[C@@H]1CCc2ccccc2[C@H]1N(Cc1ccccc1)C(=O)CN
InChIInChI=1S/C27H30N2O2/c1-31-25-14-8-6-12-22(25)17-23-16-15-21-11-5-7-13-24(21)27(23)29(26(30)18-28)19-20-9-3-2-4-10-20/h2-14,23,27H,15-19,28H2,1H3/t23-,27-/m0/s1
InChIKeySRTPKOCLGXGEJV-HOFKKMOUSA-N
MW414.55 g/mol
LogP4.53
Rot. Bonds7

About 2-amino-N-benzyl-N-[(1S,2S)-2-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-amino-N-benzyl-N-[(1S,2S)-2-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 70031718) has the molecular formula C27H30N2O2 and a molecular weight of 414.55 g/mol. Its IUPAC name is 2-amino-N-benzyl-N-[(1S,2S)-2-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-amino-N-benzyl-N-[(1S,2S)-2-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID70031718
Molecular FormulaC27H30N2O2
Molecular Weight414.55 g/mol
Exact Mass414.23
IUPAC Name2-amino-N-benzyl-N-[(1S,2S)-2-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCOc1ccccc1C[C@@H]1CCc2ccccc2[C@H]1N(Cc1ccccc1)C(=O)CN
InChIInChI=1S/C27H30N2O2/c1-31-25-14-8-6-12-22(25)17-23-16-15-21-11-5-7-13-24(21)27(23)29(26(30)18-28)19-20-9-3-2-4-10-20/h2-14,23,27H,15-19,28H2,1H3/t23-,27-/m0/s1
InChIKeySRTPKOCLGXGEJV-HOFKKMOUSA-N
XLogP4.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-benzyl-N-[2-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 70034048
3-[[2-[benzyl-[(1S,2S)-2-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]carbamoylamino]benzoic acid
CID 70031704
methyl 3-[3-[2-[benzyl-(2-benzyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl]phenyl]benzoate
CID 70013770
N-benzyl-2-(1,3-dioxoisoindol-2-yl)-N-[2-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 70031762
methyl 4-[3-[2-[benzyl-(2-benzyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl]phenyl]benzoate
CID 70013774
4-[3-[2-[benzyl-[(1S,2S)-2-benzyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]phenyl]benzoic acid
CID 70012449
3-[3-[2-[benzyl-[(1S,2S)-2-benzyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]phenyl]benzoic acid
CID 70012105
3-[[[(1S,2S)-2-benzyl-1,2,3,4-tetrahydronaphthalen-1-yl]-[2-[3-(3-carboxyphenyl)phenyl]acetyl]amino]methyl]benzoic acid
CID 70013668
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(3-hydroxypropyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 97145385
2-(2,3-dihydro-1H-inden-1-yl)-N-(3-hydroxypropyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 70768798
2-[[3-[3-[2-[benzyl-(2-benzyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl]phenyl]benzoyl]amino]acetic acid
CID 10326572
2-amino-N-benzyl-N-[1-(2-methoxyphenyl)propan-2-yl]acetamide;hydrochloride
CID 119309200

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-benzyl-N-[(1S,2S)-2-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-amino-N-benzyl-N-[(1S,2S)-2-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 70031718) is 2-amino-N-benzyl-N-[(1S,2S)-2-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-amino-N-benzyl-N-[(1S,2S)-2-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-amino-N-benzyl-N-[(1S,2S)-2-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is COc1ccccc1C[C@@H]1CCc2ccccc2[C@H]1N(Cc1ccccc1)C(=O)CN.
What is the InChIKey of 2-amino-N-benzyl-N-[(1S,2S)-2-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is SRTPKOCLGXGEJV-HOFKKMOUSA-N. The full InChI is InChI=1S/C27H30N2O2/c1-31-25-14-8-6-12-22(25)17-23-16-15-21-11-5-7-13-24(21)27(23)29(26(30)18-28)19-20-9-3-2-4-10-20/h2-14,23,27H,15-19,28H2,1H3/t23-,27-/m0/s1.
What are the key properties of 2-amino-N-benzyl-N-[(1S,2S)-2-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2-amino-N-benzyl-N-[(1S,2S)-2-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 414.55 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-benzyl-N-[(1S,2S)-2-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 70031718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).