N-butan-2-yl-2-(3-methylpentan-2-ylamino)acetamide

C12H26N2O — CID 61463687

IUPACN-butan-2-yl-2-(3-methylpentan-2-ylamino)acetamide
SMILESCCC(C)NC(=O)CNC(C)C(C)CC
InChIInChI=1S/C12H26N2O/c1-6-9(3)11(5)13-8-12(15)14-10(4)7-2/h9-11,13H,6-8H2,1-5H3,(H,14,15)
InChIKeyXHMPOIHMWCNTLY-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.93
Rot. Bonds7

About N-butan-2-yl-2-(3-methylpentan-2-ylamino)acetamide

N-butan-2-yl-2-(3-methylpentan-2-ylamino)acetamide (PubChem CID 61463687) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-butan-2-yl-2-(3-methylpentan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(3-methylpentan-2-ylamino)acetamide
PubChem CID61463687
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-butan-2-yl-2-(3-methylpentan-2-ylamino)acetamide
SMILESCCC(C)NC(=O)CNC(C)C(C)CC
InChIInChI=1S/C12H26N2O/c1-6-9(3)11(5)13-8-12(15)14-10(4)7-2/h9-11,13H,6-8H2,1-5H3,(H,14,15)
InChIKeyXHMPOIHMWCNTLY-UHFFFAOYSA-N
XLogP1.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylbutan-2-yl)-2-(3-methylpentan-2-ylamino)acetamide
CID 61486133
2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]-N-(2-methoxyethyl)propanamide
CID 113407011
N-[(2R)-3-methylpentan-2-yl]propanamide
CID 145216410
ethyl 2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]acetate
CID 60811242
N-[(2S)-butan-2-yl]-3-methylbutanamide
CID 38989280
2-[1-(4-bromophenyl)ethylamino]-N-butan-2-ylacetamide
CID 60693866
N-butan-2-yl-2-[1-(4-ethylphenyl)ethylamino]acetamide
CID 60693867
N-butan-2-yl-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 81354162
(2R,3R)-2-amino-N-[(2S)-butan-2-yl]-3-methylpentanamide
CID 93001596
2-[[(1S)-1,2-dihydroxy-3-methylpentyl]amino]-N-propan-2-ylacetamide
CID 59115752
(2R,3S)-3-methyl-N-(2-methylprop-2-enyl)pentan-2-amine
CID 94400360
N-butan-2-yl-2-[[2-(tert-butylamino)-2-oxoethyl]amino]acetamide
CID 113219551

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(3-methylpentan-2-ylamino)acetamide?
The IUPAC name of N-butan-2-yl-2-(3-methylpentan-2-ylamino)acetamide (CID 61463687) is N-butan-2-yl-2-(3-methylpentan-2-ylamino)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(3-methylpentan-2-ylamino)acetamide?
The canonical SMILES for N-butan-2-yl-2-(3-methylpentan-2-ylamino)acetamide is CCC(C)NC(=O)CNC(C)C(C)CC.
What is the InChIKey of N-butan-2-yl-2-(3-methylpentan-2-ylamino)acetamide?
The InChIKey is XHMPOIHMWCNTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-6-9(3)11(5)13-8-12(15)14-10(4)7-2/h9-11,13H,6-8H2,1-5H3,(H,14,15).
What are the key properties of N-butan-2-yl-2-(3-methylpentan-2-ylamino)acetamide?
N-butan-2-yl-2-(3-methylpentan-2-ylamino)acetamide has a molecular weight of 214.35 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(3-methylpentan-2-ylamino)acetamide is sourced from PubChem (CID 61463687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).