(3S)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-methyl-5-phenylpentanamide

C17H26N2O2 — CID 95591362

IUPAC(3S)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-methyl-5-phenylpentanamide
SMILESC[C@@H](CCc1ccccc1)CC(=O)NCC(C)(C)C(N)=O
InChIInChI=1S/C17H26N2O2/c1-13(9-10-14-7-5-4-6-8-14)11-15(20)19-12-17(2,3)16(18)21/h4-8,13H,9-12H2,1-3H3,(H2,18,21)(H,19,20)/t13-/m0/s1
InChIKeyONACMIQGOHXUJW-ZDUSSCGKSA-N
MW290.41 g/mol
LogP2.27
Rot. Bonds8

About (3S)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-methyl-5-phenylpentanamide

(3S)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-methyl-5-phenylpentanamide (PubChem CID 95591362) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (3S)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-methyl-5-phenylpentanamide.

Molecular Properties

Compound Name(3S)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-methyl-5-phenylpentanamide
PubChem CID95591362
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(3S)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-methyl-5-phenylpentanamide
SMILESC[C@@H](CCc1ccccc1)CC(=O)NCC(C)(C)C(N)=O
InChIInChI=1S/C17H26N2O2/c1-13(9-10-14-7-5-4-6-8-14)11-15(20)19-12-17(2,3)16(18)21/h4-8,13H,9-12H2,1-3H3,(H2,18,21)(H,19,20)/t13-/m0/s1
InChIKeyONACMIQGOHXUJW-ZDUSSCGKSA-N
XLogP2.27
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-amino-4-phenylbutanoyl)amino]-2,2-dimethylpropanamide
CID 106276438
5-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-3-methyl-5-oxopentanoic acid
CID 106275549
3-methyl-5-phenylpentanamide
CID 66761020
4-amino-3-methyl-N-(2-phenylethyl)butanamide
CID 81070116
3-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2,2-dimethylpropanamide;hydrochloride
CID 119296279
2,2-dimethyl-3-(2-phenylethylamino)propanamide
CID 103617251
(3S)-N-(2-amino-2-oxoethyl)-N,3-dimethyl-5-phenylpentanamide
CID 94219124
3-[(2-chloro-2-phenylacetyl)amino]-2,2-dimethylpropanamide
CID 114167195
3-methyl-5-phenyl-N-[4-(trifluoromethyl)phenyl]pentanamide
CID 175774255
3-[[2-(4-butylphenyl)acetyl]amino]-2,2-dimethylpropanamide
CID 56813745
3-[[2-(benzylamino)-2-oxoethyl]amino]-2,2-dimethylpropanamide
CID 106276098
3-methyl-5-phenyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentanamide
CID 56557744

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-methyl-5-phenylpentanamide?
The IUPAC name of (3S)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-methyl-5-phenylpentanamide (CID 95591362) is (3S)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-methyl-5-phenylpentanamide.
What is the SMILES notation for (3S)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-methyl-5-phenylpentanamide?
The canonical SMILES for (3S)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-methyl-5-phenylpentanamide is C[C@@H](CCc1ccccc1)CC(=O)NCC(C)(C)C(N)=O.
What is the InChIKey of (3S)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-methyl-5-phenylpentanamide?
The InChIKey is ONACMIQGOHXUJW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13(9-10-14-7-5-4-6-8-14)11-15(20)19-12-17(2,3)16(18)21/h4-8,13H,9-12H2,1-3H3,(H2,18,21)(H,19,20)/t13-/m0/s1.
What are the key properties of (3S)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-methyl-5-phenylpentanamide?
(3S)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-methyl-5-phenylpentanamide has a molecular weight of 290.41 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-methyl-5-phenylpentanamide is sourced from PubChem (CID 95591362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).