N-tert-butyl-2-(naphthalen-2-ylamino)propanamide

C17H22N2O — CID 43401178

IUPACN-tert-butyl-2-(naphthalen-2-ylamino)propanamide
SMILESCC(Nc1ccc2ccccc2c1)C(=O)NC(C)(C)C
InChIInChI=1S/C17H22N2O/c1-12(16(20)19-17(2,3)4)18-15-10-9-13-7-5-6-8-14(13)11-15/h5-12,18H,1-4H3,(H,19,20)
InChIKeyYGFIMGHSBJKAPD-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.55
Rot. Bonds3

About N-tert-butyl-2-(naphthalen-2-ylamino)propanamide

N-tert-butyl-2-(naphthalen-2-ylamino)propanamide (PubChem CID 43401178) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-tert-butyl-2-(naphthalen-2-ylamino)propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-(naphthalen-2-ylamino)propanamide
PubChem CID43401178
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-tert-butyl-2-(naphthalen-2-ylamino)propanamide
SMILESCC(Nc1ccc2ccccc2c1)C(=O)NC(C)(C)C
InChIInChI=1S/C17H22N2O/c1-12(16(20)19-17(2,3)4)18-15-10-9-13-7-5-6-8-14(13)11-15/h5-12,18H,1-4H3,(H,19,20)
InChIKeyYGFIMGHSBJKAPD-UHFFFAOYSA-N
XLogP3.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(6-bromonaphthalen-2-yl)amino]-N-tert-butylpropanamide
CID 80973497
(2S)-2-anilino-N-tert-butylpropanamide
CID 28840351
2-(naphthalen-2-ylamino)-N-propylpropanamide
CID 43401181
N-(3-methylbutyl)-2-(naphthalen-2-ylamino)propanamide
CID 43420253
2-(naphthalen-2-ylamino)-N-prop-2-ynylpropanamide
CID 43420257
2-(3,4-dimethylanilino)-N-naphthalen-2-ylpropanamide
CID 78666889
(2S)-2-(4-acetamidoanilino)-N-tert-butylpropanamide
CID 35994885
2-(naphthalen-2-ylamino)-N-pentylpropanamide
CID 43420250
2-(4-bromo-3-fluoroanilino)-N-tert-butylpropanamide
CID 65437707
(2S)-N-[(Z)-benzylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 5390537
N-tert-butyl-2-[3-(dimethylamino)-4-methylanilino]propanamide
CID 115378236
(2S)-2-(naphthalen-2-ylamino)-N-[(Z)-1-phenylethylideneamino]propanamide
CID 6858361

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(naphthalen-2-ylamino)propanamide?
The IUPAC name of N-tert-butyl-2-(naphthalen-2-ylamino)propanamide (CID 43401178) is N-tert-butyl-2-(naphthalen-2-ylamino)propanamide.
What is the SMILES notation for N-tert-butyl-2-(naphthalen-2-ylamino)propanamide?
The canonical SMILES for N-tert-butyl-2-(naphthalen-2-ylamino)propanamide is CC(Nc1ccc2ccccc2c1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(naphthalen-2-ylamino)propanamide?
The InChIKey is YGFIMGHSBJKAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-12(16(20)19-17(2,3)4)18-15-10-9-13-7-5-6-8-14(13)11-15/h5-12,18H,1-4H3,(H,19,20).
What are the key properties of N-tert-butyl-2-(naphthalen-2-ylamino)propanamide?
N-tert-butyl-2-(naphthalen-2-ylamino)propanamide has a molecular weight of 270.38 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(naphthalen-2-ylamino)propanamide is sourced from PubChem (CID 43401178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).