N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide

C17H37N3O — CID 60946981

IUPACN-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide
SMILESCCN(CC)CCN(CC(C)C)C(=O)CCCNC(C)C
InChIInChI=1S/C17H37N3O/c1-7-19(8-2)12-13-20(14-15(3)4)17(21)10-9-11-18-16(5)6/h15-16,18H,7-14H2,1-6H3
InChIKeyIRQWDERNSQJUBV-UHFFFAOYSA-N
MW299.50 g/mol
LogP2.59
Rot. Bonds12

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

N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide (PubChem CID 60946981) has the molecular formula C17H37N3O and a molecular weight of 299.50 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide
PubChem CID60946981
Molecular FormulaC17H37N3O
Molecular Weight299.50 g/mol
Exact Mass299.29
IUPAC NameN-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide
SMILESCCN(CC)CCN(CC(C)C)C(=O)CCCNC(C)C
InChIInChI=1S/C17H37N3O/c1-7-19(8-2)12-13-20(14-15(3)4)17(21)10-9-11-18-16(5)6/h15-16,18H,7-14H2,1-6H3
InChIKeyIRQWDERNSQJUBV-UHFFFAOYSA-N
XLogP2.59
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 52.59
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

N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-3-(propan-2-ylamino)propanamide
CID 60946665
N-ethyl-N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide
CID 60850058
4-amino-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)butanamide
CID 54871197
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]-4-(propan-2-ylamino)butanamide
CID 60849509
3-[2-methylpropyl(pentanoyl)amino]propanoic acid
CID 82323488
N-methyl-N-(2-methylpropyl)-5-(propan-2-ylamino)pentanamide
CID 165153495
N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-2-(prop-2-ynylamino)acetamide
CID 79287756
N-(2-hydroxypropyl)-N-methyl-4-(propan-2-ylamino)butanamide
CID 62334150
N-methyl-N-pentyl-4-(propan-2-ylamino)butanamide
CID 60850238
N-[2-(diethylamino)ethyl]-N-[3-hydroxy-2-(hydroxymethyl)propyl]nonanamide
CID 170657119

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide (CID 60946981) is N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide is CCN(CC)CCN(CC(C)C)C(=O)CCCNC(C)C.
What is the InChIKey of N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide?
The InChIKey is IRQWDERNSQJUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3O/c1-7-19(8-2)12-13-20(14-15(3)4)17(21)10-9-11-18-16(5)6/h15-16,18H,7-14H2,1-6H3.
What are the key properties of N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide?
N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide has a molecular weight of 299.50 g/mol, XLogP of 2.59, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide is sourced from PubChem (CID 60946981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).