N-tert-butyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide

C18H28N2O — CID 115889370

IUPACN-tert-butyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide
SMILESCC(C)(C)NC(=O)CCNC1CCCCc2ccccc21
InChIInChI=1S/C18H28N2O/c1-18(2,3)20-17(21)12-13-19-16-11-7-5-9-14-8-4-6-10-15(14)16/h4,6,8,10,16,19H,5,7,9,11-13H2,1-3H3,(H,20,21)
InChIKeyXYNGJTJNRXGSCX-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.35
Rot. Bonds4

About N-tert-butyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide

N-tert-butyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide (PubChem CID 115889370) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-tert-butyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide
PubChem CID115889370
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-tert-butyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide
SMILESCC(C)(C)NC(=O)CCNC1CCCCc2ccccc21
InChIInChI=1S/C18H28N2O/c1-18(2,3)20-17(21)12-13-19-16-11-7-5-9-14-8-4-6-10-15(14)16/h4,6,8,10,16,19H,5,7,9,11-13H2,1-3H3,(H,20,21)
InChIKeyXYNGJTJNRXGSCX-UHFFFAOYSA-N
XLogP3.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanamide
CID 115605298
N-cyclopropyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide
CID 79386308
N-(2-methoxyethyl)-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide
CID 115712000
3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoic acid
CID 43087276
ethyl 4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)butanoate
CID 64577940
3-(2,3-dihydro-1H-inden-1-ylamino)propanoic acid
CID 43088449
N-cyclopropyl-3-(2,3-dihydro-1H-inden-1-ylamino)propanamide
CID 62626829
tert-butyl 3-(2,3-dihydro-1H-inden-1-ylamino)propanoate
CID 113262066
2,2-dimethyl-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]propanamide
CID 166867733
6-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)hexan-1-ol
CID 103922340
1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)pentan-3-ol
CID 113262793
N-(2-methyl-2-methylsulfonylpropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 79552399

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide?
The IUPAC name of N-tert-butyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide (CID 115889370) is N-tert-butyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide.
What is the SMILES notation for N-tert-butyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide?
The canonical SMILES for N-tert-butyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide is CC(C)(C)NC(=O)CCNC1CCCCc2ccccc21.
What is the InChIKey of N-tert-butyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide?
The InChIKey is XYNGJTJNRXGSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-18(2,3)20-17(21)12-13-19-16-11-7-5-9-14-8-4-6-10-15(14)16/h4,6,8,10,16,19H,5,7,9,11-13H2,1-3H3,(H,20,21).
What are the key properties of N-tert-butyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide?
N-tert-butyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide has a molecular weight of 288.44 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide is sourced from PubChem (CID 115889370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).