N-[2-(dimethylamino)ethyl]-3-(2-propan-2-yloxyanilino)propanamide

C16H27N3O2 — CID 109016279

IUPACN-[2-(dimethylamino)ethyl]-3-(2-propan-2-yloxyanilino)propanamide
SMILESCC(C)Oc1ccccc1NCCC(=O)NCCN(C)C
InChIInChI=1S/C16H27N3O2/c1-13(2)21-15-8-6-5-7-14(15)17-10-9-16(20)18-11-12-19(3)4/h5-8,13,17H,9-12H2,1-4H3,(H,18,20)
InChIKeyLWIBHKAHSIGTNQ-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.95
Rot. Bonds9

About N-[2-(dimethylamino)ethyl]-3-(2-propan-2-yloxyanilino)propanamide

N-[2-(dimethylamino)ethyl]-3-(2-propan-2-yloxyanilino)propanamide (PubChem CID 109016279) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-(2-propan-2-yloxyanilino)propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-(2-propan-2-yloxyanilino)propanamide
PubChem CID109016279
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-[2-(dimethylamino)ethyl]-3-(2-propan-2-yloxyanilino)propanamide
SMILESCC(C)Oc1ccccc1NCCC(=O)NCCN(C)C
InChIInChI=1S/C16H27N3O2/c1-13(2)21-15-8-6-5-7-14(15)17-10-9-16(20)18-11-12-19(3)4/h5-8,13,17H,9-12H2,1-4H3,(H,18,20)
InChIKeyLWIBHKAHSIGTNQ-UHFFFAOYSA-N
XLogP1.95
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N',N'-dimethyl-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 39245563
1-[2-(dimethylamino)ethyl]-3-(2-propan-2-yloxyphenyl)urea
CID 108988227
N-pentyl-3-(2-propan-2-yloxyanilino)propanamide
CID 109032164
3-(2-propan-2-ylanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109036788
N-[2-(1H-indol-3-yl)ethyl]-3-(2-propan-2-yloxyanilino)propanamide
CID 109027445
3-(4-chloroanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109038195
N-(1,3-benzodioxol-5-yl)-3-(2-propan-2-yloxyanilino)propanamide
CID 109040174
3-(2-ethyl-6-methylanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109036659
5-[2-(dimethylamino)ethylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109229386
3-(2-methylpropylamino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109012857
N-[2-(dimethylamino)ethyl]-3-(4-methoxyanilino)propanamide
CID 109016275
N-butyl-3-(2-methoxyanilino)propanamide
CID 109012291

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-(2-propan-2-yloxyanilino)propanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-(2-propan-2-yloxyanilino)propanamide (CID 109016279) is N-[2-(dimethylamino)ethyl]-3-(2-propan-2-yloxyanilino)propanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-(2-propan-2-yloxyanilino)propanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-(2-propan-2-yloxyanilino)propanamide is CC(C)Oc1ccccc1NCCC(=O)NCCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-(2-propan-2-yloxyanilino)propanamide?
The InChIKey is LWIBHKAHSIGTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-13(2)21-15-8-6-5-7-14(15)17-10-9-16(20)18-11-12-19(3)4/h5-8,13,17H,9-12H2,1-4H3,(H,18,20).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-(2-propan-2-yloxyanilino)propanamide?
N-[2-(dimethylamino)ethyl]-3-(2-propan-2-yloxyanilino)propanamide has a molecular weight of 293.41 g/mol, XLogP of 1.95, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-(2-propan-2-yloxyanilino)propanamide is sourced from PubChem (CID 109016279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).