(2S)-2-amino-N-butan-2-yl-N-butylpentanamide

C13H28N2O — CID 107568931

IUPAC(2S)-2-amino-N-butan-2-yl-N-butylpentanamide
SMILESCCCCN(C(=O)[C@@H](N)CCC)C(C)CC
InChIInChI=1S/C13H28N2O/c1-5-8-10-15(11(4)7-3)13(16)12(14)9-6-2/h11-12H,5-10,14H2,1-4H3/t11?,12-/m0/s1
InChIKeyKKDOLEWPMFJRRU-KIYNQFGBSA-N
MW228.38 g/mol
LogP2.54
Rot. Bonds8

About (2S)-2-amino-N-butan-2-yl-N-butylpentanamide

(2S)-2-amino-N-butan-2-yl-N-butylpentanamide (PubChem CID 107568931) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is (2S)-2-amino-N-butan-2-yl-N-butylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-butan-2-yl-N-butylpentanamide
PubChem CID107568931
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name(2S)-2-amino-N-butan-2-yl-N-butylpentanamide
SMILESCCCCN(C(=O)[C@@H](N)CCC)C(C)CC
InChIInChI=1S/C13H28N2O/c1-5-8-10-15(11(4)7-3)13(16)12(14)9-6-2/h11-12H,5-10,14H2,1-4H3/t11?,12-/m0/s1
InChIKeyKKDOLEWPMFJRRU-KIYNQFGBSA-N
XLogP2.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-butan-2-yl-N-butyl-3-methylbutanamide
CID 79012967
(2R)-2-amino-N,N-dibutylpentanamide
CID 103793770
2-amino-N-butyl-N-(1-phenylethyl)pentanamide
CID 119331563
N-butan-2-yl-N-butyl-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76923560
2-amino-N-butan-2-yl-5-methoxy-N-(2-methoxyethyl)pentanamide
CID 81088100
2-bromo-N-butan-2-yl-N-butyl-3-methylbutanamide
CID 60948518
(2R)-2-amino-N,N-dipentylpentanamide
CID 93372351
3-amino-N-butan-2-yl-N-butyl-2-methoxypropanamide
CID 106112047
2-amino-N-butan-2-yl-N-butyl-2-phenylacetamide
CID 54870822
ethyl 3-[butan-2-yl(butyl)amino]-2,2-difluoro-3-oxopropanoate
CID 112743084
(2S)-2-amino-N-butyl-N-methylhexanamide
CID 103830866
2-amino-N-butan-2-yl-N-ethyl-5-methoxypentanamide
CID 81082232

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-butan-2-yl-N-butylpentanamide?
The IUPAC name of (2S)-2-amino-N-butan-2-yl-N-butylpentanamide (CID 107568931) is (2S)-2-amino-N-butan-2-yl-N-butylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-butan-2-yl-N-butylpentanamide?
The canonical SMILES for (2S)-2-amino-N-butan-2-yl-N-butylpentanamide is CCCCN(C(=O)[C@@H](N)CCC)C(C)CC.
What is the InChIKey of (2S)-2-amino-N-butan-2-yl-N-butylpentanamide?
The InChIKey is KKDOLEWPMFJRRU-KIYNQFGBSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-8-10-15(11(4)7-3)13(16)12(14)9-6-2/h11-12H,5-10,14H2,1-4H3/t11?,12-/m0/s1.
What are the key properties of (2S)-2-amino-N-butan-2-yl-N-butylpentanamide?
(2S)-2-amino-N-butan-2-yl-N-butylpentanamide has a molecular weight of 228.38 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-butan-2-yl-N-butylpentanamide is sourced from PubChem (CID 107568931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).