N-butan-2-yl-2-[[1-(1-hydroxybutan-2-ylamino)-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide

C16H32N4O3 — CID 143297448

IUPACN-butan-2-yl-2-[[1-(1-hydroxybutan-2-ylamino)-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide
SMILESCCC(C)NC(=O)C(C)(C)/N=N/C(C)(C)C(=O)NC(CC)CO
InChIInChI=1S/C16H32N4O3/c1-8-11(3)17-13(22)15(4,5)19-20-16(6,7)14(23)18-12(9-2)10-21/h11-12,21H,8-10H2,1-7H3,(H,17,22)(H,18,23)/b20-19+
InChIKeyAJVAGRIOTAWXEP-FMQUCBEESA-N
MW328.46 g/mol
LogP1.80
Rot. Bonds9

About N-butan-2-yl-2-[[1-(1-hydroxybutan-2-ylamino)-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide

N-butan-2-yl-2-[[1-(1-hydroxybutan-2-ylamino)-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide (PubChem CID 143297448) has the molecular formula C16H32N4O3 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-butan-2-yl-2-[[1-(1-hydroxybutan-2-ylamino)-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[[1-(1-hydroxybutan-2-ylamino)-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide
PubChem CID143297448
Molecular FormulaC16H32N4O3
Molecular Weight328.46 g/mol
Exact Mass328.25
IUPAC NameN-butan-2-yl-2-[[1-(1-hydroxybutan-2-ylamino)-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide
SMILESCCC(C)NC(=O)C(C)(C)/N=N/C(C)(C)C(=O)NC(CC)CO
InChIInChI=1S/C16H32N4O3/c1-8-11(3)17-13(22)15(4,5)19-20-16(6,7)14(23)18-12(9-2)10-21/h11-12,21H,8-10H2,1-7H3,(H,17,22)(H,18,23)/b20-19+
InChIKeyAJVAGRIOTAWXEP-FMQUCBEESA-N
XLogP1.80
TPSA103.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze N-butan-2-yl-2-[[1-(1-hydroxybutan-2-ylamino)-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide with MolForge

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Related Compounds

2-(ethylamino)-N-[(2R)-1-hydroxybutan-2-yl]-2-methylpropanamide
CID 107221411
N-[(2S)-1-hydroxybutan-2-yl]-2-methoxy-2-methylpropanamide
CID 105342956
2,2,3,3-tetrafluoro-N-(1-hydroxybutan-2-yl)propanamide
CID 103944341
2,2,3,3-tetrafluoro-N-[(2S)-1-hydroxybutan-2-yl]propanamide
CID 105342996
N-[(2R)-1-hydroxybutan-2-yl]-2-methylbutanamide
CID 103919845
2-tert-butylsulfanyl-N-(1-hydroxybutan-2-yl)acetamide
CID 43418122
tert-butyl N-(1-hydroxybutan-2-yl)carbamate
CID 15339785
1-(1-hydroxybutan-2-yl)-3-methylurea
CID 115279269
N-(1-hydroxypropan-2-yl)-2,2-dimethylbutanamide
CID 62677681
N-butan-2-yl-3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanamide
CID 3588417
4-chloro-2,2,3,3,4,4-hexafluoro-N-(1-hydroxybutan-2-yl)butanamide
CID 3101689
N-butan-2-yl-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide
CID 114292493

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[[1-(1-hydroxybutan-2-ylamino)-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide?
The IUPAC name of N-butan-2-yl-2-[[1-(1-hydroxybutan-2-ylamino)-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide (CID 143297448) is N-butan-2-yl-2-[[1-(1-hydroxybutan-2-ylamino)-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide.
What is the SMILES notation for N-butan-2-yl-2-[[1-(1-hydroxybutan-2-ylamino)-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide?
The canonical SMILES for N-butan-2-yl-2-[[1-(1-hydroxybutan-2-ylamino)-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide is CCC(C)NC(=O)C(C)(C)/N=N/C(C)(C)C(=O)NC(CC)CO.
What is the InChIKey of N-butan-2-yl-2-[[1-(1-hydroxybutan-2-ylamino)-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide?
The InChIKey is AJVAGRIOTAWXEP-FMQUCBEESA-N. The full InChI is InChI=1S/C16H32N4O3/c1-8-11(3)17-13(22)15(4,5)19-20-16(6,7)14(23)18-12(9-2)10-21/h11-12,21H,8-10H2,1-7H3,(H,17,22)(H,18,23)/b20-19+.
What are the key properties of N-butan-2-yl-2-[[1-(1-hydroxybutan-2-ylamino)-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide?
N-butan-2-yl-2-[[1-(1-hydroxybutan-2-ylamino)-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide has a molecular weight of 328.46 g/mol, XLogP of 1.80, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[[1-(1-hydroxybutan-2-ylamino)-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide is sourced from PubChem (CID 143297448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).