2-[[(2S)-butan-2-yl]amino]-N-[2-[[2-[[(2R)-butan-2-yl]amino]acetyl]amino]ethyl]acetamide

C14H30N4O2 — CID 26058062

IUPAC2-[[(2S)-butan-2-yl]amino]-N-[2-[[2-[[(2R)-butan-2-yl]amino]acetyl]amino]ethyl]acetamide
SMILESCC[C@@H](C)NCC(=O)NCCNC(=O)CN[C@@H](C)CC
InChIInChI=1S/C14H30N4O2/c1-5-11(3)17-9-13(19)15-7-8-16-14(20)10-18-12(4)6-2/h11-12,17-18H,5-10H2,1-4H3,(H,15,19)(H,16,20)/t11-,12+
InChIKeyLWTSIRLKGMVTDI-TXEJJXNPSA-N
MW286.42 g/mol
LogP-0.00
Rot. Bonds11

About 2-[[(2S)-butan-2-yl]amino]-N-[2-[[2-[[(2R)-butan-2-yl]amino]acetyl]amino]ethyl]acetamide

2-[[(2S)-butan-2-yl]amino]-N-[2-[[2-[[(2R)-butan-2-yl]amino]acetyl]amino]ethyl]acetamide (PubChem CID 26058062) has the molecular formula C14H30N4O2 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-[[(2S)-butan-2-yl]amino]-N-[2-[[2-[[(2R)-butan-2-yl]amino]acetyl]amino]ethyl]acetamide.

Molecular Properties

Compound Name2-[[(2S)-butan-2-yl]amino]-N-[2-[[2-[[(2R)-butan-2-yl]amino]acetyl]amino]ethyl]acetamide
PubChem CID26058062
Molecular FormulaC14H30N4O2
Molecular Weight286.42 g/mol
Exact Mass286.24
IUPAC Name2-[[(2S)-butan-2-yl]amino]-N-[2-[[2-[[(2R)-butan-2-yl]amino]acetyl]amino]ethyl]acetamide
SMILESCC[C@@H](C)NCC(=O)NCCNC(=O)CN[C@@H](C)CC
InChIInChI=1S/C14H30N4O2/c1-5-11(3)17-9-13(19)15-7-8-16-14(20)10-18-12(4)6-2/h11-12,17-18H,5-10H2,1-4H3,(H,15,19)(H,16,20)/t11-,12+
InChIKeyLWTSIRLKGMVTDI-TXEJJXNPSA-N
XLogP-0.00
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 5-0.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[[(2S)-butan-2-yl]amino]-N-[2-[[2-[[(2R)-butan-2-yl]amino]acetyl]amino]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-4-[[2-(butan-2-ylamino)acetyl]amino]-2-hydroxybutanoic acid
CID 107836312
2-(butan-2-ylamino)-N-(2-methylbutyl)acetamide
CID 62691817
2-(butan-2-ylamino)-N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]acetamide
CID 155446032
2-(butan-2-ylamino)-N-[2-(ethylsulfamoyl)ethyl]acetamide
CID 114175247
3-[[2-(butan-2-ylamino)acetyl]amino]-2-methylpropanoic acid
CID 62675191
2-(butan-2-ylamino)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 61274259
2-(butan-2-ylamino)-N-(3-piperidin-1-ylpropyl)acetamide
CID 60852471
2-(butan-2-ylamino)-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide
CID 62979214
2-[[2-(2-acetamidoethylamino)-2-oxoethyl]amino]propanoic acid
CID 43467117
2-(butan-2-ylamino)-N-(2,2-difluoro-3-hydroxypropyl)acetamide
CID 106176989
3-[[2-(butan-2-ylamino)acetyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66175333
N-(3-methylbutyl)-2-(pentan-2-ylamino)acetamide
CID 60672196

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-butan-2-yl]amino]-N-[2-[[2-[[(2R)-butan-2-yl]amino]acetyl]amino]ethyl]acetamide?
The IUPAC name of 2-[[(2S)-butan-2-yl]amino]-N-[2-[[2-[[(2R)-butan-2-yl]amino]acetyl]amino]ethyl]acetamide (CID 26058062) is 2-[[(2S)-butan-2-yl]amino]-N-[2-[[2-[[(2R)-butan-2-yl]amino]acetyl]amino]ethyl]acetamide.
What is the SMILES notation for 2-[[(2S)-butan-2-yl]amino]-N-[2-[[2-[[(2R)-butan-2-yl]amino]acetyl]amino]ethyl]acetamide?
The canonical SMILES for 2-[[(2S)-butan-2-yl]amino]-N-[2-[[2-[[(2R)-butan-2-yl]amino]acetyl]amino]ethyl]acetamide is CC[C@@H](C)NCC(=O)NCCNC(=O)CN[C@@H](C)CC.
What is the InChIKey of 2-[[(2S)-butan-2-yl]amino]-N-[2-[[2-[[(2R)-butan-2-yl]amino]acetyl]amino]ethyl]acetamide?
The InChIKey is LWTSIRLKGMVTDI-TXEJJXNPSA-N. The full InChI is InChI=1S/C14H30N4O2/c1-5-11(3)17-9-13(19)15-7-8-16-14(20)10-18-12(4)6-2/h11-12,17-18H,5-10H2,1-4H3,(H,15,19)(H,16,20)/t11-,12+.
What are the key properties of 2-[[(2S)-butan-2-yl]amino]-N-[2-[[2-[[(2R)-butan-2-yl]amino]acetyl]amino]ethyl]acetamide?
2-[[(2S)-butan-2-yl]amino]-N-[2-[[2-[[(2R)-butan-2-yl]amino]acetyl]amino]ethyl]acetamide has a molecular weight of 286.42 g/mol, XLogP of -0.00, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-butan-2-yl]amino]-N-[2-[[2-[[(2R)-butan-2-yl]amino]acetyl]amino]ethyl]acetamide is sourced from PubChem (CID 26058062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).