(2R)-2-amino-N-[1-(4-tert-butylphenyl)ethyl]-3,3-dimethylbutanamide

C18H30N2O — CID 103928603

IUPAC(2R)-2-amino-N-[1-(4-tert-butylphenyl)ethyl]-3,3-dimethylbutanamide
SMILESCC(NC(=O)[C@H](N)C(C)(C)C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H30N2O/c1-12(20-16(21)15(19)18(5,6)7)13-8-10-14(11-9-13)17(2,3)4/h8-12,15H,19H2,1-7H3,(H,20,21)/t12?,15-/m0/s1
InChIKeyVNYPBFNGIIVRPV-CVRLYYSRSA-N
MW290.45 g/mol
LogP3.53
Rot. Bonds3

About (2R)-2-amino-N-[1-(4-tert-butylphenyl)ethyl]-3,3-dimethylbutanamide

(2R)-2-amino-N-[1-(4-tert-butylphenyl)ethyl]-3,3-dimethylbutanamide (PubChem CID 103928603) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is (2R)-2-amino-N-[1-(4-tert-butylphenyl)ethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[1-(4-tert-butylphenyl)ethyl]-3,3-dimethylbutanamide
PubChem CID103928603
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name(2R)-2-amino-N-[1-(4-tert-butylphenyl)ethyl]-3,3-dimethylbutanamide
SMILESCC(NC(=O)[C@H](N)C(C)(C)C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H30N2O/c1-12(20-16(21)15(19)18(5,6)7)13-8-10-14(11-9-13)17(2,3)4/h8-12,15H,19H2,1-7H3,(H,20,21)/t12?,15-/m0/s1
InChIKeyVNYPBFNGIIVRPV-CVRLYYSRSA-N
XLogP3.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3,3-dimethyl-N-[1-(4-propan-2-ylphenyl)ethyl]butanamide
CID 61178572
(2S)-2-amino-N-[1-(4-tert-butylphenyl)ethyl]-3-methylbutanamide
CID 61155319
(2S)-2-amino-3,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
CID 81356570
(2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3,3-dimethylbutanamide
CID 103930283
2-amino-N-[1-(4-chlorophenyl)ethyl]-3,3-dimethylbutanamide
CID 76896717
(2R)-2-amino-N-[1-(4-ethylphenyl)ethyl]-3,3-dimethylbutanamide
CID 103928673
2-amino-N-[1-(4-ethylphenyl)ethyl]-3,3-dimethylbutanamide
CID 76887263
2-amino-3,3-dimethyl-N-(1-pyridin-4-ylethyl)butanamide
CID 76893776
(2S)-2-amino-N-[1-(3,4-difluorophenyl)ethyl]-3,3-dimethylbutanamide;hydrochloride
CID 119686370
2-bromo-N-[1-(4-tert-butylphenyl)ethyl]propanamide
CID 107903587
(2R)-2-amino-N-[1-(3-hydroxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 113353325
2-amino-N-[1-(3-hydroxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 76893024

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[1-(4-tert-butylphenyl)ethyl]-3,3-dimethylbutanamide?
The IUPAC name of (2R)-2-amino-N-[1-(4-tert-butylphenyl)ethyl]-3,3-dimethylbutanamide (CID 103928603) is (2R)-2-amino-N-[1-(4-tert-butylphenyl)ethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-[1-(4-tert-butylphenyl)ethyl]-3,3-dimethylbutanamide?
The canonical SMILES for (2R)-2-amino-N-[1-(4-tert-butylphenyl)ethyl]-3,3-dimethylbutanamide is CC(NC(=O)[C@H](N)C(C)(C)C)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of (2R)-2-amino-N-[1-(4-tert-butylphenyl)ethyl]-3,3-dimethylbutanamide?
The InChIKey is VNYPBFNGIIVRPV-CVRLYYSRSA-N. The full InChI is InChI=1S/C18H30N2O/c1-12(20-16(21)15(19)18(5,6)7)13-8-10-14(11-9-13)17(2,3)4/h8-12,15H,19H2,1-7H3,(H,20,21)/t12?,15-/m0/s1.
What are the key properties of (2R)-2-amino-N-[1-(4-tert-butylphenyl)ethyl]-3,3-dimethylbutanamide?
(2R)-2-amino-N-[1-(4-tert-butylphenyl)ethyl]-3,3-dimethylbutanamide has a molecular weight of 290.45 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[1-(4-tert-butylphenyl)ethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 103928603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).