(2R)-2-acetamido-N-(4-tert-butylphenyl)pentanediamide

C17H25N3O3 — CID 95383089

IUPAC(2R)-2-acetamido-N-(4-tert-butylphenyl)pentanediamide
SMILESCC(=O)N[C@H](CCC(N)=O)C(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H25N3O3/c1-11(21)19-14(9-10-15(18)22)16(23)20-13-7-5-12(6-8-13)17(2,3)4/h5-8,14H,9-10H2,1-4H3,(H2,18,22)(H,19,21)(H,20,23)/t14-/m1/s1
InChIKeyYVPCIHDKDCVIAW-CQSZACIVSA-N
MW319.41 g/mol
LogP1.69
Rot. Bonds6

About (2R)-2-acetamido-N-(4-tert-butylphenyl)pentanediamide

(2R)-2-acetamido-N-(4-tert-butylphenyl)pentanediamide (PubChem CID 95383089) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is (2R)-2-acetamido-N-(4-tert-butylphenyl)pentanediamide.

Molecular Properties

Compound Name(2R)-2-acetamido-N-(4-tert-butylphenyl)pentanediamide
PubChem CID95383089
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name(2R)-2-acetamido-N-(4-tert-butylphenyl)pentanediamide
SMILESCC(=O)N[C@H](CCC(N)=O)C(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H25N3O3/c1-11(21)19-14(9-10-15(18)22)16(23)20-13-7-5-12(6-8-13)17(2,3)4/h5-8,14H,9-10H2,1-4H3,(H2,18,22)(H,19,21)(H,20,23)/t14-/m1/s1
InChIKeyYVPCIHDKDCVIAW-CQSZACIVSA-N
XLogP1.69
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-acetamido-N-(4-butylphenyl)pentanediamide
CID 95156797
(2S)-2-[(4-tert-butylphenyl)sulfonylamino]pentanediamide
CID 25197502
(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-3-carboxypropanoyl]amino]-5-amino-5-oxopentanoyl]amino]-5-amino-5-oxopentanoyl]amino]-4-(4-nitroanilino)-4-oxobutanoic acid
CID 25108794
2-amino-N-(4-tert-butylphenyl)-3-methoxypropanamide
CID 81081326
(2S)-2-[(4-tert-butylphenyl)carbamoylamino]-N'-hydroxy-N-phenyloctanediamide
CID 11676844
2-acetamido-N-(4-hydroxyphenyl)-3-sulfanylpropanamide
CID 12850521
(2S)-2-amino-N-(4-tert-butylphenyl)-3-phenylpropanamide
CID 22691217
(2R)-2-acetamido-5-(diaminomethylideneamino)-N-(4-nitrophenyl)pentanamide
CID 129360490
1-N,2-N,3-N,4-N-tetrakis(4-tert-butylphenyl)butane-1,2,3,4-tetracarboxamide
CID 67992353
2-acetamido-N-[[4-[[[(2S)-2,4-diaminobutanoyl]amino]methyl]phenyl]methyl]pentanediamide
CID 58991301
2-acetamido-6-amino-N-[4-(methoxymethyl)phenyl]hexanamide
CID 146383034
3-amino-N-(4-tert-butylphenyl)-3-hydroxyimino-2-methylpropanamide
CID 76926765

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-N-(4-tert-butylphenyl)pentanediamide?
The IUPAC name of (2R)-2-acetamido-N-(4-tert-butylphenyl)pentanediamide (CID 95383089) is (2R)-2-acetamido-N-(4-tert-butylphenyl)pentanediamide.
What is the SMILES notation for (2R)-2-acetamido-N-(4-tert-butylphenyl)pentanediamide?
The canonical SMILES for (2R)-2-acetamido-N-(4-tert-butylphenyl)pentanediamide is CC(=O)N[C@H](CCC(N)=O)C(=O)Nc1ccc(C(C)(C)C)cc1.
What is the InChIKey of (2R)-2-acetamido-N-(4-tert-butylphenyl)pentanediamide?
The InChIKey is YVPCIHDKDCVIAW-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-11(21)19-14(9-10-15(18)22)16(23)20-13-7-5-12(6-8-13)17(2,3)4/h5-8,14H,9-10H2,1-4H3,(H2,18,22)(H,19,21)(H,20,23)/t14-/m1/s1.
What are the key properties of (2R)-2-acetamido-N-(4-tert-butylphenyl)pentanediamide?
(2R)-2-acetamido-N-(4-tert-butylphenyl)pentanediamide has a molecular weight of 319.41 g/mol, XLogP of 1.69, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-N-(4-tert-butylphenyl)pentanediamide is sourced from PubChem (CID 95383089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).