N-tert-butyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanamide

C17H26N2O — CID 115605298

IUPACN-tert-butyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanamide
SMILESCC(C)(C)NC(=O)CCNC1CCCc2ccccc21
InChIInChI=1S/C17H26N2O/c1-17(2,3)19-16(20)11-12-18-15-10-6-8-13-7-4-5-9-14(13)15/h4-5,7,9,15,18H,6,8,10-12H2,1-3H3,(H,19,20)
InChIKeyRUYXFEFOVXWWSP-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.96
Rot. Bonds4

About N-tert-butyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanamide

N-tert-butyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanamide (PubChem CID 115605298) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-tert-butyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanamide
PubChem CID115605298
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-tert-butyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanamide
SMILESCC(C)(C)NC(=O)CCNC1CCCc2ccccc21
InChIInChI=1S/C17H26N2O/c1-17(2,3)19-16(20)11-12-18-15-10-6-8-13-7-4-5-9-14(13)15/h4-5,7,9,15,18H,6,8,10-12H2,1-3H3,(H,19,20)
InChIKeyRUYXFEFOVXWWSP-UHFFFAOYSA-N
XLogP2.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide
CID 115889370
3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoic acid
CID 43087276
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-(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
N-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide
CID 43400828
(1S)-N-[2-(tert-butylamino)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 39983733
N'-(1,2,3,4-tetrahydronaphthalen-1-yl)ethane-1,2-diamine
CID 60888348
1-(2-hydroxyethyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 21393473
methyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate
CID 19794096

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanamide?
The IUPAC name of N-tert-butyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanamide (CID 115605298) is N-tert-butyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanamide.
What is the SMILES notation for N-tert-butyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanamide?
The canonical SMILES for N-tert-butyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanamide is CC(C)(C)NC(=O)CCNC1CCCc2ccccc21.
What is the InChIKey of N-tert-butyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanamide?
The InChIKey is RUYXFEFOVXWWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-17(2,3)19-16(20)11-12-18-15-10-6-8-13-7-4-5-9-14(13)15/h4-5,7,9,15,18H,6,8,10-12H2,1-3H3,(H,19,20).
What are the key properties of N-tert-butyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanamide?
N-tert-butyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanamide has a molecular weight of 274.41 g/mol, XLogP of 2.96, 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-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanamide is sourced from PubChem (CID 115605298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).