(2S)-2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3,3-dimethylbutanamide

C18H28N2O — CID 61165442

IUPAC(2S)-2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3,3-dimethylbutanamide
SMILESCCc1ccc(CN(C(=O)[C@@H](N)C(C)(C)C)C2CC2)cc1
InChIInChI=1S/C18H28N2O/c1-5-13-6-8-14(9-7-13)12-20(15-10-11-15)17(21)16(19)18(2,3)4/h6-9,15-16H,5,10-12,19H2,1-4H3/t16-/m1/s1
InChIKeyAQUCIVBCZLAJEB-MRXNPFEDSA-N
MW288.44 g/mol
LogP3.11
Rot. Bonds5

About (2S)-2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3,3-dimethylbutanamide

(2S)-2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3,3-dimethylbutanamide (PubChem CID 61165442) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is (2S)-2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3,3-dimethylbutanamide
PubChem CID61165442
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name(2S)-2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3,3-dimethylbutanamide
SMILESCCc1ccc(CN(C(=O)[C@@H](N)C(C)(C)C)C2CC2)cc1
InChIInChI=1S/C18H28N2O/c1-5-13-6-8-14(9-7-13)12-20(15-10-11-15)17(21)16(19)18(2,3)4/h6-9,15-16H,5,10-12,19H2,1-4H3/t16-/m1/s1
InChIKeyAQUCIVBCZLAJEB-MRXNPFEDSA-N
XLogP3.11
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3,3-dimethylbutanamide
CID 76895226
2-amino-N-cyclopropyl-3,3-dimethyl-N-[(4-methylphenyl)methyl]butanamide
CID 76895294
(2S)-2-amino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3,3-dimethylbutanamide
CID 61165604
2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]pentanamide
CID 60938574
(2S)-2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-methylpentanamide
CID 61173219
(2R)-2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-3,3-dimethylbutanamide
CID 103929366
3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-2-methoxypropanamide
CID 106112024
2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-2-methylpentanamide
CID 60938964
(2R)-2-amino-N-cyclopropyl-3,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]butanamide
CID 103929276
(2R)-2-amino-N-cyclopropyl-3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 113353364
2-amino-N-cyclopropyl-3,3-dimethyl-N-(pyridin-2-ylmethyl)butanamide
CID 76895282
4-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]butanamide
CID 54870516

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3,3-dimethylbutanamide (CID 61165442) is (2S)-2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3,3-dimethylbutanamide is CCc1ccc(CN(C(=O)[C@@H](N)C(C)(C)C)C2CC2)cc1.
What is the InChIKey of (2S)-2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3,3-dimethylbutanamide?
The InChIKey is AQUCIVBCZLAJEB-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H28N2O/c1-5-13-6-8-14(9-7-13)12-20(15-10-11-15)17(21)16(19)18(2,3)4/h6-9,15-16H,5,10-12,19H2,1-4H3/t16-/m1/s1.
What are the key properties of (2S)-2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3,3-dimethylbutanamide?
(2S)-2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3,3-dimethylbutanamide has a molecular weight of 288.44 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 61165442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).