2-(7-methyloctylamino)-N-pentan-3-ylpropanamide

C17H36N2O — CID 107814906

IUPAC2-(7-methyloctylamino)-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)NCCCCCCC(C)C
InChIInChI=1S/C17H36N2O/c1-6-16(7-2)19-17(20)15(5)18-13-11-9-8-10-12-14(3)4/h14-16,18H,6-13H2,1-5H3,(H,19,20)
InChIKeyJWQSNHPARQHHIO-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.88
Rot. Bonds12

About 2-(7-methyloctylamino)-N-pentan-3-ylpropanamide

2-(7-methyloctylamino)-N-pentan-3-ylpropanamide (PubChem CID 107814906) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 2-(7-methyloctylamino)-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-(7-methyloctylamino)-N-pentan-3-ylpropanamide
PubChem CID107814906
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name2-(7-methyloctylamino)-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)NCCCCCCC(C)C
InChIInChI=1S/C17H36N2O/c1-6-16(7-2)19-17(20)15(5)18-13-11-9-8-10-12-14(3)4/h14-16,18H,6-13H2,1-5H3,(H,19,20)
InChIKeyJWQSNHPARQHHIO-UHFFFAOYSA-N
XLogP3.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(5-methylhexylamino)-N-pentan-3-ylpropanamide
CID 79003313
2-(5-methylhexylamino)-N-propan-2-ylpropanamide
CID 115325548
2-(5-methylsulfanylpentylamino)-N-pentan-3-ylpropanamide
CID 114127230
2-(3-aminopropylamino)-N-pentan-3-ylpropanamide
CID 62275033
2-(7-methyloctylamino)-N-(2-methylpropyl)propanamide
CID 103604994
2-(4-methylpentylamino)-N-pentan-2-ylpropanamide
CID 60745937
2-(2-acetamidoethylamino)-N-pentan-3-ylpropanamide
CID 43420238
2-[2-(dimethylamino)ethylamino]-N-pentan-3-ylpropanamide
CID 43112397
2-(2-ethoxyethylamino)-N-pentan-3-ylpropanamide
CID 43591061
methyl 3-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]propanoate
CID 60719528
N-cyclopropyl-4-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]butanamide
CID 79393960
N-butan-2-yl-2-(5-methylsulfanylpentylamino)propanamide
CID 114127259

Frequently Asked Questions

What is the IUPAC name of 2-(7-methyloctylamino)-N-pentan-3-ylpropanamide?
The IUPAC name of 2-(7-methyloctylamino)-N-pentan-3-ylpropanamide (CID 107814906) is 2-(7-methyloctylamino)-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-(7-methyloctylamino)-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-(7-methyloctylamino)-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)C(C)NCCCCCCC(C)C.
What is the InChIKey of 2-(7-methyloctylamino)-N-pentan-3-ylpropanamide?
The InChIKey is JWQSNHPARQHHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-6-16(7-2)19-17(20)15(5)18-13-11-9-8-10-12-14(3)4/h14-16,18H,6-13H2,1-5H3,(H,19,20).
What are the key properties of 2-(7-methyloctylamino)-N-pentan-3-ylpropanamide?
2-(7-methyloctylamino)-N-pentan-3-ylpropanamide has a molecular weight of 284.49 g/mol, XLogP of 3.88, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyloctylamino)-N-pentan-3-ylpropanamide is sourced from PubChem (CID 107814906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).