2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[2-oxo-2-(propylamino)ethyl]acetamide

C19H31N3O2 — CID 8992755

IUPAC2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[2-oxo-2-(propylamino)ethyl]acetamide
SMILESCCCNC(=O)CNC(=O)CN[C@H](c1ccc(CC)cc1)C(C)C
InChIInChI=1S/C19H31N3O2/c1-5-11-20-17(23)12-21-18(24)13-22-19(14(3)4)16-9-7-15(6-2)8-10-16/h7-10,14,19,22H,5-6,11-13H2,1-4H3,(H,20,23)(H,21,24)/t19-/m0/s1
InChIKeyYKOUARRCUJUMMA-IBGZPJMESA-N
MW333.48 g/mol
LogP2.18
Rot. Bonds10

About 2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[2-oxo-2-(propylamino)ethyl]acetamide

2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[2-oxo-2-(propylamino)ethyl]acetamide (PubChem CID 8992755) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[2-oxo-2-(propylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[2-oxo-2-(propylamino)ethyl]acetamide
PubChem CID8992755
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[2-oxo-2-(propylamino)ethyl]acetamide
SMILESCCCNC(=O)CNC(=O)CN[C@H](c1ccc(CC)cc1)C(C)C
InChIInChI=1S/C19H31N3O2/c1-5-11-20-17(23)12-21-18(24)13-22-19(14(3)4)16-9-7-15(6-2)8-10-16/h7-10,14,19,22H,5-6,11-13H2,1-4H3,(H,20,23)(H,21,24)/t19-/m0/s1
InChIKeyYKOUARRCUJUMMA-IBGZPJMESA-N
XLogP2.18
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide
CID 8992499
N-benzyl-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide
CID 8991910
2-[[2-methyl-1-(4-propylphenyl)propyl]amino]-N-(propylcarbamoyl)acetamide
CID 46615152
2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 8992802
N-[2-(ethylamino)-2-oxoethyl]-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9134101
N-[[(2S)-butan-2-yl]carbamoyl]-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide
CID 8992506
2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]-N-[2-[[2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]acetyl]amino]ethyl]acetamide
CID 75459806
2-(butan-2-ylamino)-N-[1-(4-ethylphenyl)-2-methylpropyl]acetamide
CID 60684128
2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]-N-[2-[[2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]acetyl]amino]ethyl]acetamide
CID 97305872
N-[2-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 55437912
2-[[2-methyl-1-(4-propylphenyl)propyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 78818494
2-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[1-(furan-2-yl)ethyl]acetamide
CID 86911674

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[2-oxo-2-(propylamino)ethyl]acetamide?
The IUPAC name of 2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[2-oxo-2-(propylamino)ethyl]acetamide (CID 8992755) is 2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[2-oxo-2-(propylamino)ethyl]acetamide.
What is the SMILES notation for 2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[2-oxo-2-(propylamino)ethyl]acetamide?
The canonical SMILES for 2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[2-oxo-2-(propylamino)ethyl]acetamide is CCCNC(=O)CNC(=O)CN[C@H](c1ccc(CC)cc1)C(C)C.
What is the InChIKey of 2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[2-oxo-2-(propylamino)ethyl]acetamide?
The InChIKey is YKOUARRCUJUMMA-IBGZPJMESA-N. The full InChI is InChI=1S/C19H31N3O2/c1-5-11-20-17(23)12-21-18(24)13-22-19(14(3)4)16-9-7-15(6-2)8-10-16/h7-10,14,19,22H,5-6,11-13H2,1-4H3,(H,20,23)(H,21,24)/t19-/m0/s1.
What are the key properties of 2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[2-oxo-2-(propylamino)ethyl]acetamide?
2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[2-oxo-2-(propylamino)ethyl]acetamide has a molecular weight of 333.48 g/mol, XLogP of 2.18, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[2-oxo-2-(propylamino)ethyl]acetamide is sourced from PubChem (CID 8992755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).