2-[[(1S)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]acetamide

C20H33N3O2 — CID 8834658

IUPAC2-[[(1S)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]acetamide
SMILESCC[C@H](C)c1ccc([C@@H](NCC(=O)NCC(=O)N(C)C)C(C)C)cc1
InChIInChI=1S/C20H33N3O2/c1-7-15(4)16-8-10-17(11-9-16)20(14(2)3)22-12-18(24)21-13-19(25)23(5)6/h8-11,14-15,20,22H,7,12-13H2,1-6H3,(H,21,24)/t15-,20-/m0/s1
InChIKeyIBSGMQYTOHRFJC-YWZLYKJASA-N
MW347.50 g/mol
LogP2.69
Rot. Bonds9

About 2-[[(1S)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]acetamide

2-[[(1S)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]acetamide (PubChem CID 8834658) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is 2-[[(1S)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]acetamide
PubChem CID8834658
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name2-[[(1S)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]acetamide
SMILESCC[C@H](C)c1ccc([C@@H](NCC(=O)NCC(=O)N(C)C)C(C)C)cc1
InChIInChI=1S/C20H33N3O2/c1-7-15(4)16-8-10-17(11-9-16)20(14(2)3)22-12-18(24)21-13-19(25)23(5)6/h8-11,14-15,20,22H,7,12-13H2,1-6H3,(H,21,24)/t15-,20-/m0/s1
InChIKeyIBSGMQYTOHRFJC-YWZLYKJASA-N
XLogP2.69
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[(1S)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]acetamide with MolForge

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Related Compounds

2-[[(1S)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 8834502
4-[[2-[[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]acetyl]amino]-N,N-dimethylbenzamide
CID 8834378
2-[[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-[2-(2,6-dimethylanilino)-2-oxoethyl]acetamide
CID 8834390
2-[[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-(ethylcarbamoyl)acetamide
CID 8834223
[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl]azanium
CID 8834655
N,N-dimethyl-2-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetamide
CID 78817279
N,N-dimethyl-2-[[2-methyl-1-(4-propylphenyl)propyl]amino]acetamide
CID 78818491
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]acetamide
CID 8637666
N-[2-(ethylamino)-2-oxoethyl]-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9134101
2-[[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-(cyclopropylcarbamoyl)acetamide
CID 8834404
2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 8992755
2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]-N-[2-[[2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]acetyl]amino]ethyl]acetamide
CID 97305872

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]acetamide?
The IUPAC name of 2-[[(1S)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]acetamide (CID 8834658) is 2-[[(1S)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-[[(1S)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-[[(1S)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]acetamide is CC[C@H](C)c1ccc([C@@H](NCC(=O)NCC(=O)N(C)C)C(C)C)cc1.
What is the InChIKey of 2-[[(1S)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]acetamide?
The InChIKey is IBSGMQYTOHRFJC-YWZLYKJASA-N. The full InChI is InChI=1S/C20H33N3O2/c1-7-15(4)16-8-10-17(11-9-16)20(14(2)3)22-12-18(24)21-13-19(25)23(5)6/h8-11,14-15,20,22H,7,12-13H2,1-6H3,(H,21,24)/t15-,20-/m0/s1.
What are the key properties of 2-[[(1S)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]acetamide?
2-[[(1S)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]acetamide has a molecular weight of 347.50 g/mol, XLogP of 2.69, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]acetamide is sourced from PubChem (CID 8834658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).