N-ethyl-N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide

C13H28N2O — CID 60850058

IUPACN-ethyl-N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide
SMILESCCN(CC(C)C)C(=O)CCCNC(C)C
InChIInChI=1S/C13H28N2O/c1-6-15(10-11(2)3)13(16)8-7-9-14-12(4)5/h11-12,14H,6-10H2,1-5H3
InChIKeyXYCLHOPXOTWWET-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.27
Rot. Bonds8

About N-ethyl-N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide

N-ethyl-N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide (PubChem CID 60850058) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-ethyl-N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide.

Molecular Properties

Compound NameN-ethyl-N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide
PubChem CID60850058
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-ethyl-N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide
SMILESCCN(CC(C)C)C(=O)CCCNC(C)C
InChIInChI=1S/C13H28N2O/c1-6-15(10-11(2)3)13(16)8-7-9-14-12(4)5/h11-12,14H,6-10H2,1-5H3
InChIKeyXYCLHOPXOTWWET-UHFFFAOYSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide
CID 60946981
2-[2-methylpropyl-[4-(propan-2-ylamino)butanoyl]amino]acetic acid
CID 63064871
N,N-dipentyl-4-(propan-2-ylamino)butanamide
CID 60947135
N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-3-(propan-2-ylamino)propanamide
CID 60946665
N-methyl-N-(2-methylpropyl)-5-(propan-2-ylamino)pentanamide
CID 165153495
N-(2-hydroxypropyl)-N-methyl-4-(propan-2-ylamino)butanamide
CID 62334150
N-ethyl-N-(2-methylpropyl)propanamide
CID 54345595
2-[[5-(diethylamino)-5-oxopentanoyl]-(2-methylpropyl)amino]acetic acid
CID 119193017
N-methyl-N-pentyl-4-(propan-2-ylamino)butanamide
CID 60850238
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-(propan-2-ylamino)propanamide
CID 54869110
N-benzyl-N-ethyl-3-(propan-2-ylamino)propanamide
CID 60854868
3-[2-methylpropyl(pentanoyl)amino]propanoic acid
CID 82323488

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide?
The IUPAC name of N-ethyl-N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide (CID 60850058) is N-ethyl-N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide.
What is the SMILES notation for N-ethyl-N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide?
The canonical SMILES for N-ethyl-N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide is CCN(CC(C)C)C(=O)CCCNC(C)C.
What is the InChIKey of N-ethyl-N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide?
The InChIKey is XYCLHOPXOTWWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-6-15(10-11(2)3)13(16)8-7-9-14-12(4)5/h11-12,14H,6-10H2,1-5H3.
What are the key properties of N-ethyl-N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide?
N-ethyl-N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide has a molecular weight of 228.38 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide is sourced from PubChem (CID 60850058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).