N-tert-butyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]propanamide

C14H23N3O — CID 81410714

IUPACN-tert-butyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]propanamide
SMILESCC(N[C@@H](C)c1ccncc1)C(=O)NC(C)(C)C
InChIInChI=1S/C14H23N3O/c1-10(12-6-8-15-9-7-12)16-11(2)13(18)17-14(3,4)5/h6-11,16H,1-5H3,(H,17,18)/t10-,11?/m0/s1
InChIKeyBZGIJJGUJADTGV-VUWPPUDQSA-N
MW249.36 g/mol
LogP2.04
Rot. Bonds4

About N-tert-butyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]propanamide

N-tert-butyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]propanamide (PubChem CID 81410714) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-tert-butyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]propanamide
PubChem CID81410714
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-tert-butyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]propanamide
SMILESCC(N[C@@H](C)c1ccncc1)C(=O)NC(C)(C)C
InChIInChI=1S/C14H23N3O/c1-10(12-6-8-15-9-7-12)16-11(2)13(18)17-14(3,4)5/h6-11,16H,1-5H3,(H,17,18)/t10-,11?/m0/s1
InChIKeyBZGIJJGUJADTGV-VUWPPUDQSA-N
XLogP2.04
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylbutan-2-yl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]propanamide
CID 81409616
2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-tert-butylpropanamide
CID 81360045
2-[[(1S)-1-pyridin-4-ylethyl]amino]propanoic acid
CID 81405988
N-tert-butyl-2-[1-(4-methylsulfanylphenyl)ethylamino]propanamide
CID 115581036
N-tert-butyl-2-[1-(3,4-dichlorophenyl)ethylamino]propanamide
CID 115573948
N-tert-butyl-2-(1-thiophen-3-ylethylamino)propanamide
CID 62841877
N-(ethylcarbamoyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]propanamide
CID 81409955
N-(ethylcarbamoyl)-2-[[(1S)-1-pyridin-4-ylethyl]amino]propanamide
CID 81406042
N-tert-butyl-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanamide
CID 81361059
2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-tert-butylpropanamide
CID 81382467
N-(3-methoxypropyl)-2-(1-pyridin-4-ylethylamino)propanamide
CID 43524055
N,N-diethyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]propanamide
CID 81405715

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]propanamide?
The IUPAC name of N-tert-butyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]propanamide (CID 81410714) is N-tert-butyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]propanamide?
The canonical SMILES for N-tert-butyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]propanamide is CC(N[C@@H](C)c1ccncc1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]propanamide?
The InChIKey is BZGIJJGUJADTGV-VUWPPUDQSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10(12-6-8-15-9-7-12)16-11(2)13(18)17-14(3,4)5/h6-11,16H,1-5H3,(H,17,18)/t10-,11?/m0/s1.
What are the key properties of N-tert-butyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]propanamide?
N-tert-butyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]propanamide has a molecular weight of 249.36 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]propanamide is sourced from PubChem (CID 81410714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).