2-amino-3,3-dimethyl-N-[3-(2-methylpropoxy)phenyl]butanamide

C16H26N2O2 — CID 76887829

IUPAC2-amino-3,3-dimethyl-N-[3-(2-methylpropoxy)phenyl]butanamide
SMILESCC(C)COc1cccc(NC(=O)C(N)C(C)(C)C)c1
InChIInChI=1S/C16H26N2O2/c1-11(2)10-20-13-8-6-7-12(9-13)18-15(19)14(17)16(3,4)5/h6-9,11,14H,10,17H2,1-5H3,(H,18,19)
InChIKeyOKVDDUYGHMBBHJ-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.03
Rot. Bonds5

About 2-amino-3,3-dimethyl-N-[3-(2-methylpropoxy)phenyl]butanamide

2-amino-3,3-dimethyl-N-[3-(2-methylpropoxy)phenyl]butanamide (PubChem CID 76887829) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-amino-3,3-dimethyl-N-[3-(2-methylpropoxy)phenyl]butanamide.

Molecular Properties

Compound Name2-amino-3,3-dimethyl-N-[3-(2-methylpropoxy)phenyl]butanamide
PubChem CID76887829
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-amino-3,3-dimethyl-N-[3-(2-methylpropoxy)phenyl]butanamide
SMILESCC(C)COc1cccc(NC(=O)C(N)C(C)(C)C)c1
InChIInChI=1S/C16H26N2O2/c1-11(2)10-20-13-8-6-7-12(9-13)18-15(19)14(17)16(3,4)5/h6-9,11,14H,10,17H2,1-5H3,(H,18,19)
InChIKeyOKVDDUYGHMBBHJ-UHFFFAOYSA-N
XLogP3.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride
CID 119284740
(2S)-2-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride
CID 119284742
(2R)-2-amino-4-methyl-N-[3-(2-methylpropoxy)phenyl]pentanamide
CID 39378942
(2S)-2-amino-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride
CID 119284739
3-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide
CID 64684468
(2S)-2-amino-N-[3-[2-(dimethylamino)ethoxy]phenyl]-3,3-dimethylbutanamide
CID 61180242
(2S)-2-amino-N-[3-(2-methylpropoxy)phenyl]pentanamide
CID 93360101
N-[3-(2-methylpropoxy)phenyl]acetamide
CID 23343374
1,3-bis[3-(2-methylpropoxy)phenyl]urea
CID 17170442
(2S)-2-amino-N-[3-(2-anilino-2-oxoethoxy)phenyl]-3,3-dimethylbutanamide;hydrochloride
CID 119723901
2-amino-N-[3-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide
CID 76887533
2-amino-2-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide
CID 79804776

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3-dimethyl-N-[3-(2-methylpropoxy)phenyl]butanamide?
The IUPAC name of 2-amino-3,3-dimethyl-N-[3-(2-methylpropoxy)phenyl]butanamide (CID 76887829) is 2-amino-3,3-dimethyl-N-[3-(2-methylpropoxy)phenyl]butanamide.
What is the SMILES notation for 2-amino-3,3-dimethyl-N-[3-(2-methylpropoxy)phenyl]butanamide?
The canonical SMILES for 2-amino-3,3-dimethyl-N-[3-(2-methylpropoxy)phenyl]butanamide is CC(C)COc1cccc(NC(=O)C(N)C(C)(C)C)c1.
What is the InChIKey of 2-amino-3,3-dimethyl-N-[3-(2-methylpropoxy)phenyl]butanamide?
The InChIKey is OKVDDUYGHMBBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11(2)10-20-13-8-6-7-12(9-13)18-15(19)14(17)16(3,4)5/h6-9,11,14H,10,17H2,1-5H3,(H,18,19).
What are the key properties of 2-amino-3,3-dimethyl-N-[3-(2-methylpropoxy)phenyl]butanamide?
2-amino-3,3-dimethyl-N-[3-(2-methylpropoxy)phenyl]butanamide has a molecular weight of 278.40 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3-dimethyl-N-[3-(2-methylpropoxy)phenyl]butanamide is sourced from PubChem (CID 76887829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).