N-[2-[1-(ethylamino)ethyl]phenyl]-3,3-dimethylbutanamide

C16H26N2O — CID 43508002

IUPACN-[2-[1-(ethylamino)ethyl]phenyl]-3,3-dimethylbutanamide
SMILESCCNC(C)c1ccccc1NC(=O)CC(C)(C)C
InChIInChI=1S/C16H26N2O/c1-6-17-12(2)13-9-7-8-10-14(13)18-15(19)11-16(3,4)5/h7-10,12,17H,6,11H2,1-5H3,(H,18,19)
InChIKeySQZBANCVLVHIRD-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.73
Rot. Bonds5

About N-[2-[1-(ethylamino)ethyl]phenyl]-3,3-dimethylbutanamide

N-[2-[1-(ethylamino)ethyl]phenyl]-3,3-dimethylbutanamide (PubChem CID 43508002) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[2-[1-(ethylamino)ethyl]phenyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-[1-(ethylamino)ethyl]phenyl]-3,3-dimethylbutanamide
PubChem CID43508002
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[2-[1-(ethylamino)ethyl]phenyl]-3,3-dimethylbutanamide
SMILESCCNC(C)c1ccccc1NC(=O)CC(C)(C)C
InChIInChI=1S/C16H26N2O/c1-6-17-12(2)13-9-7-8-10-14(13)18-15(19)11-16(3,4)5/h7-10,12,17H,6,11H2,1-5H3,(H,18,19)
InChIKeySQZBANCVLVHIRD-UHFFFAOYSA-N
XLogP3.73
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(2S)-butan-2-yl]phenyl]-3,3-dimethylbutanamide
CID 94840429
3-[2-[1-(ethylamino)ethyl]phenyl]-1,1-dimethylurea
CID 79154848
N-[2-[1-(ethylamino)ethyl]phenyl]azepane-1-carboxamide
CID 79157491
N-[2-[1-(ethylamino)ethyl]phenyl]cyclohexanecarboxamide
CID 43508004
N-[2-(hydroxymethyl)phenyl]-3,3-dimethylbutanamide
CID 60653327
N-[2-[1-(ethylamino)ethyl]phenyl]-5-methyloxolane-2-carboxamide
CID 81329901
N-[2-[1-(ethylamino)ethyl]phenyl]-1-methylcyclohexane-1-carboxamide
CID 106826466
1-cyclobutyl-3-[2-[1-(ethylamino)ethyl]phenyl]urea
CID 116658189
N-[(1S)-1-[2-(methanesulfonamido)phenyl]ethyl]-3,3-dimethylbutanamide
CID 94062624
N-[2-[1-(ethylamino)ethyl]phenyl]-6-methylpyridine-3-carboxamide
CID 43508026
N-(2-propan-2-ylphenyl)propanamide
CID 723442
1-(2-tert-butylphenyl)-N-ethylethanamine
CID 115765369

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(ethylamino)ethyl]phenyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2-[1-(ethylamino)ethyl]phenyl]-3,3-dimethylbutanamide (CID 43508002) is N-[2-[1-(ethylamino)ethyl]phenyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-[1-(ethylamino)ethyl]phenyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-[1-(ethylamino)ethyl]phenyl]-3,3-dimethylbutanamide is CCNC(C)c1ccccc1NC(=O)CC(C)(C)C.
What is the InChIKey of N-[2-[1-(ethylamino)ethyl]phenyl]-3,3-dimethylbutanamide?
The InChIKey is SQZBANCVLVHIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-6-17-12(2)13-9-7-8-10-14(13)18-15(19)11-16(3,4)5/h7-10,12,17H,6,11H2,1-5H3,(H,18,19).
What are the key properties of N-[2-[1-(ethylamino)ethyl]phenyl]-3,3-dimethylbutanamide?
N-[2-[1-(ethylamino)ethyl]phenyl]-3,3-dimethylbutanamide has a molecular weight of 262.40 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(ethylamino)ethyl]phenyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 43508002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).