N-(2-methoxyethyl)-N-pentan-3-yl-4-(propan-2-ylamino)butanamide

C15H32N2O2 — CID 54871818

IUPACN-(2-methoxyethyl)-N-pentan-3-yl-4-(propan-2-ylamino)butanamide
SMILESCCC(CC)N(CCOC)C(=O)CCCNC(C)C
InChIInChI=1S/C15H32N2O2/c1-6-14(7-2)17(11-12-19-5)15(18)9-8-10-16-13(3)4/h13-14,16H,6-12H2,1-5H3
InChIKeyDQFZFRMGUVZARP-UHFFFAOYSA-N
MW272.43 g/mol
LogP2.43
Rot. Bonds11

About N-(2-methoxyethyl)-N-pentan-3-yl-4-(propan-2-ylamino)butanamide

N-(2-methoxyethyl)-N-pentan-3-yl-4-(propan-2-ylamino)butanamide (PubChem CID 54871818) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-pentan-3-yl-4-(propan-2-ylamino)butanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-pentan-3-yl-4-(propan-2-ylamino)butanamide
PubChem CID54871818
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC NameN-(2-methoxyethyl)-N-pentan-3-yl-4-(propan-2-ylamino)butanamide
SMILESCCC(CC)N(CCOC)C(=O)CCCNC(C)C
InChIInChI=1S/C15H32N2O2/c1-6-14(7-2)17(11-12-19-5)15(18)9-8-10-16-13(3)4/h13-14,16H,6-12H2,1-5H3
InChIKeyDQFZFRMGUVZARP-UHFFFAOYSA-N
XLogP2.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(cyclopropylamino)-N-(2-methoxyethyl)-N-pentan-3-ylpropanamide
CID 54871842
N,N-dipentyl-4-(propan-2-ylamino)butanamide
CID 60947135
5-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pentanamide
CID 107909884
N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-4-(propan-2-ylamino)butanamide
CID 60952989
N-(2-methoxyethyl)-2-[1-(methylamino)cyclohexyl]-N-pentan-3-ylacetamide
CID 65242111
N-(2-methoxyethyl)-4-(propan-2-ylamino)-N-(thiophen-2-ylmethyl)butanamide
CID 60939568
N-ethyl-N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide
CID 60850058
2-(2-aminoethoxy)-N-(2-methoxyethyl)-N-pentan-3-ylacetamide
CID 79474034
3-(cyclopropylamino)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)propanamide
CID 55005245
N-(2-methoxyethyl)-N-pentan-3-yl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924232
N-methyl-N-pentyl-4-(propan-2-ylamino)butanamide
CID 60850238
N-(2-methoxyethyl)-2-methyl-3-(methylamino)-N-pentan-3-ylpropanamide;hydrochloride
CID 119729632

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-pentan-3-yl-4-(propan-2-ylamino)butanamide?
The IUPAC name of N-(2-methoxyethyl)-N-pentan-3-yl-4-(propan-2-ylamino)butanamide (CID 54871818) is N-(2-methoxyethyl)-N-pentan-3-yl-4-(propan-2-ylamino)butanamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-pentan-3-yl-4-(propan-2-ylamino)butanamide?
The canonical SMILES for N-(2-methoxyethyl)-N-pentan-3-yl-4-(propan-2-ylamino)butanamide is CCC(CC)N(CCOC)C(=O)CCCNC(C)C.
What is the InChIKey of N-(2-methoxyethyl)-N-pentan-3-yl-4-(propan-2-ylamino)butanamide?
The InChIKey is DQFZFRMGUVZARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-6-14(7-2)17(11-12-19-5)15(18)9-8-10-16-13(3)4/h13-14,16H,6-12H2,1-5H3.
What are the key properties of N-(2-methoxyethyl)-N-pentan-3-yl-4-(propan-2-ylamino)butanamide?
N-(2-methoxyethyl)-N-pentan-3-yl-4-(propan-2-ylamino)butanamide has a molecular weight of 272.43 g/mol, XLogP of 2.43, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-pentan-3-yl-4-(propan-2-ylamino)butanamide is sourced from PubChem (CID 54871818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).