(2R)-2-amino-N-butan-2-yl-N-butyl-3-methylbutanamide

C13H28N2O — CID 79012967

IUPAC(2R)-2-amino-N-butan-2-yl-N-butyl-3-methylbutanamide
SMILESCCCCN(C(=O)[C@H](N)C(C)C)C(C)CC
InChIInChI=1S/C13H28N2O/c1-6-8-9-15(11(5)7-2)13(16)12(14)10(3)4/h10-12H,6-9,14H2,1-5H3/t11?,12-/m1/s1
InChIKeyLEKDRSROOJWOKP-PIJUOVFKSA-N
MW228.38 g/mol
LogP2.40
Rot. Bonds7

About (2R)-2-amino-N-butan-2-yl-N-butyl-3-methylbutanamide

(2R)-2-amino-N-butan-2-yl-N-butyl-3-methylbutanamide (PubChem CID 79012967) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is (2R)-2-amino-N-butan-2-yl-N-butyl-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-butan-2-yl-N-butyl-3-methylbutanamide
PubChem CID79012967
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name(2R)-2-amino-N-butan-2-yl-N-butyl-3-methylbutanamide
SMILESCCCCN(C(=O)[C@H](N)C(C)C)C(C)CC
InChIInChI=1S/C13H28N2O/c1-6-8-9-15(11(5)7-2)13(16)12(14)10(3)4/h10-12H,6-9,14H2,1-5H3/t11?,12-/m1/s1
InChIKeyLEKDRSROOJWOKP-PIJUOVFKSA-N
XLogP2.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-butan-2-yl-N-butylpentanamide
CID 107568931
(2S)-2-amino-N,N-dibutyl-3-methylbutanamide
CID 28983163
2-bromo-N-butan-2-yl-N-butyl-3-methylbutanamide
CID 60948518
2-[(2-amino-3-methylbutanoyl)-butan-2-ylamino]acetic acid
CID 61161299
3-amino-N-butan-2-yl-N-butyl-2,2,3-trimethylbutanamide
CID 65269662
3-amino-N-butan-2-yl-N-butyl-2-methoxypropanamide
CID 106112047
2-amino-N-butan-2-yl-N-butyl-2-phenylacetamide
CID 54870822
(2R)-2-amino-N-(2-amino-2-oxoethyl)-N-butyl-3-methylbutanamide
CID 79013579
2-amino-N-butyl-N-cyclopropyl-3-methylbutanamide
CID 60944592
ethyl 3-[butan-2-yl(butyl)amino]-2,2-difluoro-3-oxopropanoate
CID 112743084
(2S)-2-amino-3-methyl-N,N-dipropylbutanamide
CID 22690786
2-amino-N-ethyl-3-methyl-N-propan-2-ylbutanamide
CID 43265863

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-butan-2-yl-N-butyl-3-methylbutanamide?
The IUPAC name of (2R)-2-amino-N-butan-2-yl-N-butyl-3-methylbutanamide (CID 79012967) is (2R)-2-amino-N-butan-2-yl-N-butyl-3-methylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-butan-2-yl-N-butyl-3-methylbutanamide?
The canonical SMILES for (2R)-2-amino-N-butan-2-yl-N-butyl-3-methylbutanamide is CCCCN(C(=O)[C@H](N)C(C)C)C(C)CC.
What is the InChIKey of (2R)-2-amino-N-butan-2-yl-N-butyl-3-methylbutanamide?
The InChIKey is LEKDRSROOJWOKP-PIJUOVFKSA-N. The full InChI is InChI=1S/C13H28N2O/c1-6-8-9-15(11(5)7-2)13(16)12(14)10(3)4/h10-12H,6-9,14H2,1-5H3/t11?,12-/m1/s1.
What are the key properties of (2R)-2-amino-N-butan-2-yl-N-butyl-3-methylbutanamide?
(2R)-2-amino-N-butan-2-yl-N-butyl-3-methylbutanamide has a molecular weight of 228.38 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-butan-2-yl-N-butyl-3-methylbutanamide is sourced from PubChem (CID 79012967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).