3-(tert-butylamino)-N-[2-(N-methylanilino)ethyl]propanamide

C16H27N3O — CID 61260104

IUPAC3-(tert-butylamino)-N-[2-(N-methylanilino)ethyl]propanamide
SMILESCN(CCNC(=O)CCNC(C)(C)C)c1ccccc1
InChIInChI=1S/C16H27N3O/c1-16(2,3)18-11-10-15(20)17-12-13-19(4)14-8-6-5-7-9-14/h5-9,18H,10-13H2,1-4H3,(H,17,20)
InChIKeyNJBIOXLWFPAGMH-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.02
Rot. Bonds7

About 3-(tert-butylamino)-N-[2-(N-methylanilino)ethyl]propanamide

3-(tert-butylamino)-N-[2-(N-methylanilino)ethyl]propanamide (PubChem CID 61260104) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-[2-(N-methylanilino)ethyl]propanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-[2-(N-methylanilino)ethyl]propanamide
PubChem CID61260104
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name3-(tert-butylamino)-N-[2-(N-methylanilino)ethyl]propanamide
SMILESCN(CCNC(=O)CCNC(C)(C)C)c1ccccc1
InChIInChI=1S/C16H27N3O/c1-16(2,3)18-11-10-15(20)17-12-13-19(4)14-8-6-5-7-9-14/h5-9,18H,10-13H2,1-4H3,(H,17,20)
InChIKeyNJBIOXLWFPAGMH-UHFFFAOYSA-N
XLogP2.02
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-N'-methyl-N'-phenylethane-1,2-diamine
CID 54807376
N-[2-(dimethylamino)ethyl]-3-(N-methylanilino)propanamide
CID 109016239
3-(cyclopropylamino)-N-[2-(N-methylanilino)ethyl]propanamide
CID 61259203
6-amino-N-[2-(N-methylanilino)ethyl]hexanamide
CID 61260836
N-[2-(N-methylanilino)ethyl]-4-(propan-2-ylamino)butanamide
CID 61259926
5-amino-4-methyl-N-[2-(N-methylanilino)ethyl]pentanamide
CID 82012269
1-(2-hydroxy-2-phenylpropyl)-3-[2-(N-methylanilino)ethyl]urea
CID 111335704
3-(2-bromophenyl)-N-[2-(N-methylanilino)ethyl]propanamide
CID 55822824
3-(2-aminophenyl)-N-[2-(N-methylanilino)ethyl]propanamide
CID 120612175
3-(tert-butylamino)-N-(3-phenylpropyl)propanamide
CID 60913635
3-(2-aminophenyl)-N-[2-(N-methylanilino)ethyl]propanamide;dihydrochloride
CID 120612174
N-[3-[2-(N-methylanilino)ethylamino]-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 24655114

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-[2-(N-methylanilino)ethyl]propanamide?
The IUPAC name of 3-(tert-butylamino)-N-[2-(N-methylanilino)ethyl]propanamide (CID 61260104) is 3-(tert-butylamino)-N-[2-(N-methylanilino)ethyl]propanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-[2-(N-methylanilino)ethyl]propanamide?
The canonical SMILES for 3-(tert-butylamino)-N-[2-(N-methylanilino)ethyl]propanamide is CN(CCNC(=O)CCNC(C)(C)C)c1ccccc1.
What is the InChIKey of 3-(tert-butylamino)-N-[2-(N-methylanilino)ethyl]propanamide?
The InChIKey is NJBIOXLWFPAGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-16(2,3)18-11-10-15(20)17-12-13-19(4)14-8-6-5-7-9-14/h5-9,18H,10-13H2,1-4H3,(H,17,20).
What are the key properties of 3-(tert-butylamino)-N-[2-(N-methylanilino)ethyl]propanamide?
3-(tert-butylamino)-N-[2-(N-methylanilino)ethyl]propanamide has a molecular weight of 277.41 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-N-[2-(N-methylanilino)ethyl]propanamide is sourced from PubChem (CID 61260104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).