N,N-dibenzyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide

C27H29NO — CID 57205354

IUPACN,N-dibenzyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
SMILESO=C(CCC1CCc2ccccc2C1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C27H29NO/c29-27(18-16-22-15-17-25-13-7-8-14-26(25)19-22)28(20-23-9-3-1-4-10-23)21-24-11-5-2-6-12-24/h1-14,22H,15-21H2
InChIKeyQRZSQRHNNYKYNM-UHFFFAOYSA-N
MW383.54 g/mol
LogP5.80
Rot. Bonds7

About N,N-dibenzyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide

N,N-dibenzyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide (PubChem CID 57205354) has the molecular formula C27H29NO and a molecular weight of 383.54 g/mol. Its IUPAC name is N,N-dibenzyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide.

Molecular Properties

Compound NameN,N-dibenzyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
PubChem CID57205354
Molecular FormulaC27H29NO
Molecular Weight383.54 g/mol
Exact Mass383.22
IUPAC NameN,N-dibenzyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
SMILESO=C(CCC1CCc2ccccc2C1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C27H29NO/c29-27(18-16-22-15-17-25-13-7-8-14-26(25)19-22)28(20-23-9-3-1-4-10-23)21-24-11-5-2-6-12-24/h1-14,22H,15-21H2
InChIKeyQRZSQRHNNYKYNM-UHFFFAOYSA-N
XLogP5.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.54
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromoethyl)-1,2,3,4-tetrahydronaphthalene
CID 15752629
N,N-dibenzyl-2-cyclopentylacetamide
CID 112760283
2,3-dimethyl-4-oxo-6-(1,2,3,4-tetrahydronaphthalen-2-yl)hexanamide
CID 143154179
4-[[benzyl-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]amino]methyl]benzoic acid
CID 131678563
3-(1,2,3,4-tetrahydronaphthalen-2-yl)propan-1-ol
CID 67879898
2-propyl-1,2,3,4-tetrahydronaphthalene
CID 13330225
N-benzyl-N-(2-hydroxyethyl)-3-(oxan-3-yl)propanamide
CID 111696306
N,N-dibenzyl-2-(1-methylpiperidin-4-yl)acetamide
CID 99969717
N',N'-dibenzylbutanediamide
CID 101024490
benzyl(cyclopropylmethyl)carbamic acid
CID 68617171
3-[1-(benzenesulfonyl)piperidin-4-yl]-N-benzyl-N-ethylpropanamide
CID 91903765
2-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]acetic acid
CID 129362346

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide?
The IUPAC name of N,N-dibenzyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide (CID 57205354) is N,N-dibenzyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide.
What is the SMILES notation for N,N-dibenzyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide?
The canonical SMILES for N,N-dibenzyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide is O=C(CCC1CCc2ccccc2C1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide?
The InChIKey is QRZSQRHNNYKYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NO/c29-27(18-16-22-15-17-25-13-7-8-14-26(25)19-22)28(20-23-9-3-1-4-10-23)21-24-11-5-2-6-12-24/h1-14,22H,15-21H2.
What are the key properties of N,N-dibenzyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide?
N,N-dibenzyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide has a molecular weight of 383.54 g/mol, XLogP of 5.80, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide is sourced from PubChem (CID 57205354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).