N-butyl-2-[methyl-[2-[methyl-[2-[methyl(propan-2-yl)amino]acetyl]amino]acetyl]amino]acetamide

C16H32N4O3 — CID 177167159

IUPACN-butyl-2-[methyl-[2-[methyl-[2-[methyl(propan-2-yl)amino]acetyl]amino]acetyl]amino]acetamide
SMILESCCCCNC(=O)CN(C)C(=O)CN(C)C(=O)CN(C)C(C)C
InChIInChI=1S/C16H32N4O3/c1-7-8-9-17-14(21)10-19(5)16(23)12-20(6)15(22)11-18(4)13(2)3/h13H,7-12H2,1-6H3,(H,17,21)
InChIKeyYMZJNXHTIGIENZ-UHFFFAOYSA-N
MW328.46 g/mol
LogP0.16
Rot. Bonds10

About N-butyl-2-[methyl-[2-[methyl-[2-[methyl(propan-2-yl)amino]acetyl]amino]acetyl]amino]acetamide

N-butyl-2-[methyl-[2-[methyl-[2-[methyl(propan-2-yl)amino]acetyl]amino]acetyl]amino]acetamide (PubChem CID 177167159) has the molecular formula C16H32N4O3 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-butyl-2-[methyl-[2-[methyl-[2-[methyl(propan-2-yl)amino]acetyl]amino]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-butyl-2-[methyl-[2-[methyl-[2-[methyl(propan-2-yl)amino]acetyl]amino]acetyl]amino]acetamide
PubChem CID177167159
Molecular FormulaC16H32N4O3
Molecular Weight328.46 g/mol
Exact Mass328.25
IUPAC NameN-butyl-2-[methyl-[2-[methyl-[2-[methyl(propan-2-yl)amino]acetyl]amino]acetyl]amino]acetamide
SMILESCCCCNC(=O)CN(C)C(=O)CN(C)C(=O)CN(C)C(C)C
InChIInChI=1S/C16H32N4O3/c1-7-8-9-17-14(21)10-19(5)16(23)12-20(6)15(22)11-18(4)13(2)3/h13H,7-12H2,1-6H3,(H,17,21)
InChIKeyYMZJNXHTIGIENZ-UHFFFAOYSA-N
XLogP0.16
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-[[2-[[2-[[2-[[2-[[2-(hexylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-3-oxopropyl]azanide;rubidium(1+)
CID 171639523
2-[methyl(propan-2-yl)amino]-N-[6-(propan-2-ylamino)hexyl]acetamide
CID 156819537
methyl 2-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]-propan-2-ylamino]acetate
CID 62026833
N-butyl-2-(dipropylamino)acetamide
CID 54817378
2-[acetyl(methyl)amino]-N-dodecylacetamide
CID 154143762
2-[acetyl(methyl)amino]-N-hexylacetamide
CID 71897485
N-butyl-2-(diethylamino)acetamide
CID 54813643
N,N'-dibutyl-N'-methylpropanediamide
CID 108941430
2-[7-[2-[[2-[[2-[[2-(butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-4-(carboxymethyl)-10-(2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 177167143
2-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid
CID 63065230
2-[methylsulfonyl(propan-2-yl)amino]-N-pentylacetamide
CID 113147725
2-[4,7-bis(carboxymethyl)-10-[2-[[3-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-oxo-2-(pentylamino)ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-oxopropyl]amino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;ethane
CID 171639688

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[methyl-[2-[methyl-[2-[methyl(propan-2-yl)amino]acetyl]amino]acetyl]amino]acetamide?
The IUPAC name of N-butyl-2-[methyl-[2-[methyl-[2-[methyl(propan-2-yl)amino]acetyl]amino]acetyl]amino]acetamide (CID 177167159) is N-butyl-2-[methyl-[2-[methyl-[2-[methyl(propan-2-yl)amino]acetyl]amino]acetyl]amino]acetamide.
What is the SMILES notation for N-butyl-2-[methyl-[2-[methyl-[2-[methyl(propan-2-yl)amino]acetyl]amino]acetyl]amino]acetamide?
The canonical SMILES for N-butyl-2-[methyl-[2-[methyl-[2-[methyl(propan-2-yl)amino]acetyl]amino]acetyl]amino]acetamide is CCCCNC(=O)CN(C)C(=O)CN(C)C(=O)CN(C)C(C)C.
What is the InChIKey of N-butyl-2-[methyl-[2-[methyl-[2-[methyl(propan-2-yl)amino]acetyl]amino]acetyl]amino]acetamide?
The InChIKey is YMZJNXHTIGIENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O3/c1-7-8-9-17-14(21)10-19(5)16(23)12-20(6)15(22)11-18(4)13(2)3/h13H,7-12H2,1-6H3,(H,17,21).
What are the key properties of N-butyl-2-[methyl-[2-[methyl-[2-[methyl(propan-2-yl)amino]acetyl]amino]acetyl]amino]acetamide?
N-butyl-2-[methyl-[2-[methyl-[2-[methyl(propan-2-yl)amino]acetyl]amino]acetyl]amino]acetamide has a molecular weight of 328.46 g/mol, XLogP of 0.16, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[methyl-[2-[methyl-[2-[methyl(propan-2-yl)amino]acetyl]amino]acetyl]amino]acetamide is sourced from PubChem (CID 177167159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).