N-tert-butyl-3-(1-phenylbutylamino)propanamide

C17H28N2O — CID 115605323

IUPACN-tert-butyl-3-(1-phenylbutylamino)propanamide
SMILESCCCC(NCCC(=O)NC(C)(C)C)c1ccccc1
InChIInChI=1S/C17H28N2O/c1-5-9-15(14-10-7-6-8-11-14)18-13-12-16(20)19-17(2,3)4/h6-8,10-11,15,18H,5,9,12-13H2,1-4H3,(H,19,20)
InChIKeyIWBDBTVIPKELLZ-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.42
Rot. Bonds7

About N-tert-butyl-3-(1-phenylbutylamino)propanamide

N-tert-butyl-3-(1-phenylbutylamino)propanamide (PubChem CID 115605323) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-tert-butyl-3-(1-phenylbutylamino)propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-(1-phenylbutylamino)propanamide
PubChem CID115605323
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-tert-butyl-3-(1-phenylbutylamino)propanamide
SMILESCCCC(NCCC(=O)NC(C)(C)C)c1ccccc1
InChIInChI=1S/C17H28N2O/c1-5-9-15(14-10-7-6-8-11-14)18-13-12-16(20)19-17(2,3)4/h6-8,10-11,15,18H,5,9,12-13H2,1-4H3,(H,19,20)
InChIKeyIWBDBTVIPKELLZ-UHFFFAOYSA-N
XLogP3.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-3-[(2-methyl-1-phenylpropyl)amino]propanamide
CID 115605278
N-tert-butyl-3-[(2,2,2-trifluoro-1-phenylethyl)amino]propanamide
CID 115750835
N-tert-butyl-2-[4-[(1-phenylbutylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17155994
3-(1-phenylhexylamino)-N-propan-2-ylpropanamide
CID 115709150
N-(3,3-diphenylpropyl)-1-phenylbutan-1-amine
CID 20642754
N-tert-butyl-2-[2-ethoxy-4-[(1-phenylbutylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17156002
3-[[(2R)-2-amino-2-phenylacetyl]amino]-N-tert-butylpropanamide
CID 103796335
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(1-phenylbutyl)propanamide
CID 84832187
2-methyl-1-(1-phenylbutylamino)butan-2-ol
CID 65107747
5-(1-phenylbutylamino)pentan-1-ol
CID 113350448
N-(1-phenylbutyl)-4-(propan-2-ylamino)butanamide
CID 60849585
3-[1-(3-bromophenyl)ethylamino]-N-tert-butylpropanamide
CID 115605352

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(1-phenylbutylamino)propanamide?
The IUPAC name of N-tert-butyl-3-(1-phenylbutylamino)propanamide (CID 115605323) is N-tert-butyl-3-(1-phenylbutylamino)propanamide.
What is the SMILES notation for N-tert-butyl-3-(1-phenylbutylamino)propanamide?
The canonical SMILES for N-tert-butyl-3-(1-phenylbutylamino)propanamide is CCCC(NCCC(=O)NC(C)(C)C)c1ccccc1.
What is the InChIKey of N-tert-butyl-3-(1-phenylbutylamino)propanamide?
The InChIKey is IWBDBTVIPKELLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-9-15(14-10-7-6-8-11-14)18-13-12-16(20)19-17(2,3)4/h6-8,10-11,15,18H,5,9,12-13H2,1-4H3,(H,19,20).
What are the key properties of N-tert-butyl-3-(1-phenylbutylamino)propanamide?
N-tert-butyl-3-(1-phenylbutylamino)propanamide has a molecular weight of 276.42 g/mol, XLogP of 3.42, 7 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-phenylbutylamino)propanamide is sourced from PubChem (CID 115605323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).