N-[2-[2-(6-methylheptylamino)-2-oxoethoxy]ethyl]-4-(propan-2-ylamino)butanamide

C19H39N3O3 — CID 170416222

IUPACN-[2-[2-(6-methylheptylamino)-2-oxoethoxy]ethyl]-4-(propan-2-ylamino)butanamide
SMILESCC(C)CCCCCNC(=O)COCCNC(=O)CCCNC(C)C
InChIInChI=1S/C19H39N3O3/c1-16(2)9-6-5-7-11-21-19(24)15-25-14-13-22-18(23)10-8-12-20-17(3)4/h16-17,20H,5-15H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyXDYYPGYRENPZJV-UHFFFAOYSA-N
MW357.54 g/mol
LogP2.23
Rot. Bonds16

About N-[2-[2-(6-methylheptylamino)-2-oxoethoxy]ethyl]-4-(propan-2-ylamino)butanamide

N-[2-[2-(6-methylheptylamino)-2-oxoethoxy]ethyl]-4-(propan-2-ylamino)butanamide (PubChem CID 170416222) has the molecular formula C19H39N3O3 and a molecular weight of 357.54 g/mol. Its IUPAC name is N-[2-[2-(6-methylheptylamino)-2-oxoethoxy]ethyl]-4-(propan-2-ylamino)butanamide.

Molecular Properties

Compound NameN-[2-[2-(6-methylheptylamino)-2-oxoethoxy]ethyl]-4-(propan-2-ylamino)butanamide
PubChem CID170416222
Molecular FormulaC19H39N3O3
Molecular Weight357.54 g/mol
Exact Mass357.30
IUPAC NameN-[2-[2-(6-methylheptylamino)-2-oxoethoxy]ethyl]-4-(propan-2-ylamino)butanamide
SMILESCC(C)CCCCCNC(=O)COCCNC(=O)CCCNC(C)C
InChIInChI=1S/C19H39N3O3/c1-16(2)9-6-5-7-11-21-19(24)15-25-14-13-22-18(23)10-8-12-20-17(3)4/h16-17,20H,5-15H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyXDYYPGYRENPZJV-UHFFFAOYSA-N
XLogP2.23
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-methylhexyl)-5-(propan-2-ylamino)pentanamide
CID 130327808
N-(2-ethoxyethyl)-4-(propan-2-ylamino)butanamide
CID 60850792
2,15-dimethylhexadecan-3-one;2,13-dimethyltetradecan-3-one;4-methyl-N-(9-methyl-8-oxodecyl)pentanamide;4-methyl-N-(11-methyl-10-oxododecyl)pentanamide;4-methyl-N-(5-methyl-4-oxohexyl)pentanamide;4-methyl-N-(7-methyl-6-oxooctyl)pentanamide;3-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]butan-2-one;4-methyl-1-[2-(4-methylpentoxy)ethoxy]pentan-3-one;N-(9-methyl-8-oxodecyl)-2-propan-2-yloxyacetamide;N-(5-methyl-4-oxohexyl)-2-propan-2-yloxyacetamide;N-(7-methyl-6-oxooctyl)-2-propan-2-yloxyacetamide;2-methyl-10-(propan-2-ylamino)decan-3-one;2-methyl-12-(propan-2-ylamino)dodecan-3-one;3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one;3-methyl-1-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one;2-methyl-8-(propan-2-ylamino)octan-3-one;9-methyl-N-propan-2-yldecan-1-amine;7-methyl-N-propan-2-yloctan-1-amine
CID 165106432
4-methyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
CID 171803932
ethane;4-ethoxy-N-[4-(propan-2-ylamino)butyl]butanamide
CID 162749925
5-methyl-N-[2-(3-methyl-2-oxobutoxy)ethyl]hexanamide
CID 170583801
4-methyl-N-(6-methylheptyl)pentanamide
CID 129055781
2-ethoxy-N-(5-methylhexyl)acetamide
CID 21019006
2-ethoxy-N-[8-(propan-2-ylamino)octyl]acetamide;molecular hydrogen
CID 162749920
N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]-6-oxo-9-(propan-2-ylamino)nonanamide
CID 170116965
6-(methylamino)-N-[3-(propan-2-ylamino)propyl]hexanamide
CID 168958989
2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]-N-(4-methylpentyl)acetamide
CID 166012960

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(6-methylheptylamino)-2-oxoethoxy]ethyl]-4-(propan-2-ylamino)butanamide?
The IUPAC name of N-[2-[2-(6-methylheptylamino)-2-oxoethoxy]ethyl]-4-(propan-2-ylamino)butanamide (CID 170416222) is N-[2-[2-(6-methylheptylamino)-2-oxoethoxy]ethyl]-4-(propan-2-ylamino)butanamide.
What is the SMILES notation for N-[2-[2-(6-methylheptylamino)-2-oxoethoxy]ethyl]-4-(propan-2-ylamino)butanamide?
The canonical SMILES for N-[2-[2-(6-methylheptylamino)-2-oxoethoxy]ethyl]-4-(propan-2-ylamino)butanamide is CC(C)CCCCCNC(=O)COCCNC(=O)CCCNC(C)C.
What is the InChIKey of N-[2-[2-(6-methylheptylamino)-2-oxoethoxy]ethyl]-4-(propan-2-ylamino)butanamide?
The InChIKey is XDYYPGYRENPZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N3O3/c1-16(2)9-6-5-7-11-21-19(24)15-25-14-13-22-18(23)10-8-12-20-17(3)4/h16-17,20H,5-15H2,1-4H3,(H,21,24)(H,22,23).
What are the key properties of N-[2-[2-(6-methylheptylamino)-2-oxoethoxy]ethyl]-4-(propan-2-ylamino)butanamide?
N-[2-[2-(6-methylheptylamino)-2-oxoethoxy]ethyl]-4-(propan-2-ylamino)butanamide has a molecular weight of 357.54 g/mol, XLogP of 2.23, 16 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(6-methylheptylamino)-2-oxoethoxy]ethyl]-4-(propan-2-ylamino)butanamide is sourced from PubChem (CID 170416222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).