N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-3-(propan-2-ylamino)propanamide

C16H35N3O — CID 60946665

IUPACN-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-3-(propan-2-ylamino)propanamide
SMILESCCN(CC)CCN(CC(C)C)C(=O)CCNC(C)C
InChIInChI=1S/C16H35N3O/c1-7-18(8-2)11-12-19(13-14(3)4)16(20)9-10-17-15(5)6/h14-15,17H,7-13H2,1-6H3
InChIKeyMDFVXHDYNUPMTI-UHFFFAOYSA-N
MW285.48 g/mol
LogP2.20
Rot. Bonds11

About N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-3-(propan-2-ylamino)propanamide

N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-3-(propan-2-ylamino)propanamide (PubChem CID 60946665) has the molecular formula C16H35N3O and a molecular weight of 285.48 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-3-(propan-2-ylamino)propanamide
PubChem CID60946665
Molecular FormulaC16H35N3O
Molecular Weight285.48 g/mol
Exact Mass285.28
IUPAC NameN-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-3-(propan-2-ylamino)propanamide
SMILESCCN(CC)CCN(CC(C)C)C(=O)CCNC(C)C
InChIInChI=1S/C16H35N3O/c1-7-18(8-2)11-12-19(13-14(3)4)16(20)9-10-17-15(5)6/h14-15,17H,7-13H2,1-6H3
InChIKeyMDFVXHDYNUPMTI-UHFFFAOYSA-N
XLogP2.20
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Propanamide, N-(2-(dimethylamino)ethyl)-2-methyl-
CID 3047314
Propanamide, N-(2-(diethylamino)ethyl)-2-methyl-
CID 3047316
2-amino-N-(2-methylpropyl)propanamide
CID 13750005
N,N'-1,2-propanediylbis(2-methylpropanamide)
CID 2931018
N1-Isobutyl-L-alaninamide
CID 13750006
Propanamide, N-(3-(dimethylamino)propyl)-3-((3-(dimethylamino)propyl)amino)-2-methyl-
CID 91925
Trimethyl-[3-(2-methylpropanoylamino)propyl]azanium
CID 57941900
N-[3-(diethylamino)propyl]-2-methylpropanamide
CID 3748488
N-[2-(propan-2-ylamino)ethyl]propanamide
CID 62659742
Propanamide, 2-(acetylamino)-3-(dimethylamino)-N,N-diethyl-
CID 11458862
2-methyl-N-propan-2-ylpropanamide;N,N,2-trimethylpropanamide
CID 139213516
3-[2-(dipropylamino)ethyl-[3-[2-(methylamino)ethylamino]-3-oxopropyl]amino]-N-[2-(methylamino)ethyl]propanamide
CID 164670470

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-3-(propan-2-ylamino)propanamide (CID 60946665) is N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-3-(propan-2-ylamino)propanamide is CCN(CC)CCN(CC(C)C)C(=O)CCNC(C)C.
What is the InChIKey of N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-3-(propan-2-ylamino)propanamide?
The InChIKey is MDFVXHDYNUPMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3O/c1-7-18(8-2)11-12-19(13-14(3)4)16(20)9-10-17-15(5)6/h14-15,17H,7-13H2,1-6H3.
What are the key properties of N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-3-(propan-2-ylamino)propanamide?
N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-3-(propan-2-ylamino)propanamide has a molecular weight of 285.48 g/mol, XLogP of 2.20, 11 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)-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 60946665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).