N-formyl-2,4-dimethyl-2-(methylamino)-4-(3-methylbutanoylamino)pentanamide

C14H27N3O3 — CID 174253656

IUPACN-formyl-2,4-dimethyl-2-(methylamino)-4-(3-methylbutanoylamino)pentanamide
SMILESCNC(C)(CC(C)(C)NC(=O)CC(C)C)C(=O)NC=O
InChIInChI=1S/C14H27N3O3/c1-10(2)7-11(19)17-13(3,4)8-14(5,15-6)12(20)16-9-18/h9-10,15H,7-8H2,1-6H3,(H,17,19)(H,16,18,20)
InChIKeyMDHMUARPWZKVGE-UHFFFAOYSA-N
MW285.39 g/mol
LogP0.57
Rot. Bonds8

About N-formyl-2,4-dimethyl-2-(methylamino)-4-(3-methylbutanoylamino)pentanamide

N-formyl-2,4-dimethyl-2-(methylamino)-4-(3-methylbutanoylamino)pentanamide (PubChem CID 174253656) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-formyl-2,4-dimethyl-2-(methylamino)-4-(3-methylbutanoylamino)pentanamide.

Molecular Properties

Compound NameN-formyl-2,4-dimethyl-2-(methylamino)-4-(3-methylbutanoylamino)pentanamide
PubChem CID174253656
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC NameN-formyl-2,4-dimethyl-2-(methylamino)-4-(3-methylbutanoylamino)pentanamide
SMILESCNC(C)(CC(C)(C)NC(=O)CC(C)C)C(=O)NC=O
InChIInChI=1S/C14H27N3O3/c1-10(2)7-11(19)17-13(3,4)8-14(5,15-6)12(20)16-9-18/h9-10,15H,7-8H2,1-6H3,(H,17,19)(H,16,18,20)
InChIKeyMDHMUARPWZKVGE-UHFFFAOYSA-N
XLogP0.57
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-(2,4,4-trimethylpentan-2-yl)butanamide
CID 17381763
(2R)-4-(formylcarbamoylamino)-2,4-dimethylpentanoic acid
CID 166781014
2,3-dimethyl-2-(3-methylbutanoylamino)butanoic acid
CID 115910241
N-(2-cyanopropan-2-yl)-3-methylbutanamide
CID 60967814
N-(2-isocyanopropan-2-yl)-3-methylbutanamide
CID 88849340
N-(1-hydroxy-2-methylbutan-2-yl)-3-methylbutanamide
CID 64556014
N-iodo-3-methylbutanamide
CID 135276105
N-(1-hydroxy-2-methylpropan-2-yl)-3,5,5-trimethylhexanamide
CID 43500958
3-hydroxy-N-(2-methylbutan-2-yl)butanamide
CID 87908743
N-(4-hydroxy-2-methylbutan-2-yl)-3-methylpentanamide
CID 114875470
N-hydroxy-3-methylbutanamide
CID 13258739
3-(3-aminobutanoylamino)-3-methylbutanoic acid
CID 64684104

Frequently Asked Questions

What is the IUPAC name of N-formyl-2,4-dimethyl-2-(methylamino)-4-(3-methylbutanoylamino)pentanamide?
The IUPAC name of N-formyl-2,4-dimethyl-2-(methylamino)-4-(3-methylbutanoylamino)pentanamide (CID 174253656) is N-formyl-2,4-dimethyl-2-(methylamino)-4-(3-methylbutanoylamino)pentanamide.
What is the SMILES notation for N-formyl-2,4-dimethyl-2-(methylamino)-4-(3-methylbutanoylamino)pentanamide?
The canonical SMILES for N-formyl-2,4-dimethyl-2-(methylamino)-4-(3-methylbutanoylamino)pentanamide is CNC(C)(CC(C)(C)NC(=O)CC(C)C)C(=O)NC=O.
What is the InChIKey of N-formyl-2,4-dimethyl-2-(methylamino)-4-(3-methylbutanoylamino)pentanamide?
The InChIKey is MDHMUARPWZKVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-10(2)7-11(19)17-13(3,4)8-14(5,15-6)12(20)16-9-18/h9-10,15H,7-8H2,1-6H3,(H,17,19)(H,16,18,20).
What are the key properties of N-formyl-2,4-dimethyl-2-(methylamino)-4-(3-methylbutanoylamino)pentanamide?
N-formyl-2,4-dimethyl-2-(methylamino)-4-(3-methylbutanoylamino)pentanamide has a molecular weight of 285.39 g/mol, XLogP of 0.57, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-formyl-2,4-dimethyl-2-(methylamino)-4-(3-methylbutanoylamino)pentanamide is sourced from PubChem (CID 174253656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).