2-amino-3,3-dimethyl-N-(4-propan-2-yloxyphenyl)butanamide

C15H24N2O2 — CID 76892558

IUPAC2-amino-3,3-dimethyl-N-(4-propan-2-yloxyphenyl)butanamide
SMILESCC(C)Oc1ccc(NC(=O)C(N)C(C)(C)C)cc1
InChIInChI=1S/C15H24N2O2/c1-10(2)19-12-8-6-11(7-9-12)17-14(18)13(16)15(3,4)5/h6-10,13H,16H2,1-5H3,(H,17,18)
InChIKeyYJNZJLWKQSDRIN-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.79
Rot. Bonds4

About 2-amino-3,3-dimethyl-N-(4-propan-2-yloxyphenyl)butanamide

2-amino-3,3-dimethyl-N-(4-propan-2-yloxyphenyl)butanamide (PubChem CID 76892558) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-amino-3,3-dimethyl-N-(4-propan-2-yloxyphenyl)butanamide.

Molecular Properties

Compound Name2-amino-3,3-dimethyl-N-(4-propan-2-yloxyphenyl)butanamide
PubChem CID76892558
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-amino-3,3-dimethyl-N-(4-propan-2-yloxyphenyl)butanamide
SMILESCC(C)Oc1ccc(NC(=O)C(N)C(C)(C)C)cc1
InChIInChI=1S/C15H24N2O2/c1-10(2)19-12-8-6-11(7-9-12)17-14(18)13(16)15(3,4)5/h6-10,13H,16H2,1-5H3,(H,17,18)
InChIKeyYJNZJLWKQSDRIN-UHFFFAOYSA-N
XLogP2.79
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(4-methoxyphenyl)-3,3-dimethylbutanamide
CID 61149357
2-amino-3-methyl-N-(4-propan-2-yloxyphenyl)butanamide;hydrochloride
CID 119280468
methyl N-[4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]phenyl]carbamate
CID 61179916
methyl N-[4-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]phenyl]carbamate
CID 103928929
2-methyl-N-[4-(4-propan-2-yloxyanilino)phenyl]propanamide
CID 112987815
(2S)-2-amino-3,3-dimethyl-N-(3-methyl-4-propan-2-yloxyphenyl)butanamide
CID 119802599
(2R)-2-hydroxy-N-(4-propan-2-yloxyphenyl)propanamide
CID 94684359
2-amino-N-[4-(carbamoylamino)phenyl]-3,3-dimethylbutanamide
CID 76887492
3-amino-2,2,3-trimethyl-N-(4-propan-2-yloxyphenyl)butanamide
CID 65264385
4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-N-propan-2-ylbenzamide
CID 61179042
(2S)-2-amino-4-methyl-N-(4-propan-2-yloxyphenyl)pentanamide
CID 22691065
(2S)-2-amino-N-(4-bromophenyl)-3,3-dimethylbutanamide
CID 61149215

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3-dimethyl-N-(4-propan-2-yloxyphenyl)butanamide?
The IUPAC name of 2-amino-3,3-dimethyl-N-(4-propan-2-yloxyphenyl)butanamide (CID 76892558) is 2-amino-3,3-dimethyl-N-(4-propan-2-yloxyphenyl)butanamide.
What is the SMILES notation for 2-amino-3,3-dimethyl-N-(4-propan-2-yloxyphenyl)butanamide?
The canonical SMILES for 2-amino-3,3-dimethyl-N-(4-propan-2-yloxyphenyl)butanamide is CC(C)Oc1ccc(NC(=O)C(N)C(C)(C)C)cc1.
What is the InChIKey of 2-amino-3,3-dimethyl-N-(4-propan-2-yloxyphenyl)butanamide?
The InChIKey is YJNZJLWKQSDRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10(2)19-12-8-6-11(7-9-12)17-14(18)13(16)15(3,4)5/h6-10,13H,16H2,1-5H3,(H,17,18).
What are the key properties of 2-amino-3,3-dimethyl-N-(4-propan-2-yloxyphenyl)butanamide?
2-amino-3,3-dimethyl-N-(4-propan-2-yloxyphenyl)butanamide has a molecular weight of 264.37 g/mol, XLogP of 2.79, 4 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-(4-propan-2-yloxyphenyl)butanamide is sourced from PubChem (CID 76892558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).