2,2-dimethyl-N-[4-[1-(propylamino)ethyl]phenyl]butanamide

C17H28N2O — CID 62678760

IUPAC2,2-dimethyl-N-[4-[1-(propylamino)ethyl]phenyl]butanamide
SMILESCCCNC(C)c1ccc(NC(=O)C(C)(C)CC)cc1
InChIInChI=1S/C17H28N2O/c1-6-12-18-13(3)14-8-10-15(11-9-14)19-16(20)17(4,5)7-2/h8-11,13,18H,6-7,12H2,1-5H3,(H,19,20)
InChIKeyRYKXYCCAWWVWQF-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.12
Rot. Bonds7

About 2,2-dimethyl-N-[4-[1-(propylamino)ethyl]phenyl]butanamide

2,2-dimethyl-N-[4-[1-(propylamino)ethyl]phenyl]butanamide (PubChem CID 62678760) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-[1-(propylamino)ethyl]phenyl]butanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-[1-(propylamino)ethyl]phenyl]butanamide
PubChem CID62678760
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2,2-dimethyl-N-[4-[1-(propylamino)ethyl]phenyl]butanamide
SMILESCCCNC(C)c1ccc(NC(=O)C(C)(C)CC)cc1
InChIInChI=1S/C17H28N2O/c1-6-12-18-13(3)14-8-10-15(11-9-14)19-16(20)17(4,5)7-2/h8-11,13,18H,6-7,12H2,1-5H3,(H,19,20)
InChIKeyRYKXYCCAWWVWQF-UHFFFAOYSA-N
XLogP4.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-3-[4-[1-(propylamino)ethyl]phenyl]urea
CID 43508324
1-propan-2-yl-3-[4-[1-(propylamino)ethyl]phenyl]urea
CID 43508325
ethyl N-[4-[1-(propylamino)ethyl]phenyl]carbamate
CID 43508328
1-butan-2-yl-3-[4-[1-(propylamino)ethyl]phenyl]urea
CID 61341260
N-[4-[1-(propylamino)ethyl]phenyl]pyridine-2-carboxamide
CID 43507728
N-[4-[hydroxy(methoxy)methyl]phenyl]-2,2-dimethylbutanamide
CID 66908403
2-methylpropyl N-[4-[1-(propylamino)ethyl]phenyl]carbamate
CID 43508327
N-(4-chlorophenyl)-2,2-dimethylbutanamide
CID 842553
3-propoxy-N-[4-[1-(propylamino)ethyl]phenyl]propanamide
CID 62715274
2-methyl-N-[4-[1-(propylamino)ethyl]phenyl]cyclopropane-1-carboxamide
CID 43507733
2-[4-(2,2-dimethylbutanoylamino)anilino]propanoic acid
CID 59104816
N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-2,2-dimethylbutanamide
CID 87444428

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-[1-(propylamino)ethyl]phenyl]butanamide?
The IUPAC name of 2,2-dimethyl-N-[4-[1-(propylamino)ethyl]phenyl]butanamide (CID 62678760) is 2,2-dimethyl-N-[4-[1-(propylamino)ethyl]phenyl]butanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-[1-(propylamino)ethyl]phenyl]butanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-[1-(propylamino)ethyl]phenyl]butanamide is CCCNC(C)c1ccc(NC(=O)C(C)(C)CC)cc1.
What is the InChIKey of 2,2-dimethyl-N-[4-[1-(propylamino)ethyl]phenyl]butanamide?
The InChIKey is RYKXYCCAWWVWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-6-12-18-13(3)14-8-10-15(11-9-14)19-16(20)17(4,5)7-2/h8-11,13,18H,6-7,12H2,1-5H3,(H,19,20).
What are the key properties of 2,2-dimethyl-N-[4-[1-(propylamino)ethyl]phenyl]butanamide?
2,2-dimethyl-N-[4-[1-(propylamino)ethyl]phenyl]butanamide has a molecular weight of 276.42 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-[1-(propylamino)ethyl]phenyl]butanamide is sourced from PubChem (CID 62678760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).