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

C19H31N3O2 — CID 8834223

IUPAC2-[[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-(ethylcarbamoyl)acetamide
SMILESCCNC(=O)NC(=O)CN[C@H](c1ccc([C@H](C)CC)cc1)C(C)C
InChIInChI=1S/C19H31N3O2/c1-6-14(5)15-8-10-16(11-9-15)18(13(3)4)21-12-17(23)22-19(24)20-7-2/h8-11,13-14,18,21H,6-7,12H2,1-5H3,(H2,20,22,23,24)/t14-,18+/m1/s1
InChIKeyPDZUZTBFSFKSJT-KDOFPFPSSA-N
MW333.48 g/mol
LogP3.33
Rot. Bonds8

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

2-[[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-(ethylcarbamoyl)acetamide (PubChem CID 8834223) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 2-[[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-(ethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-(ethylcarbamoyl)acetamide
PubChem CID8834223
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name2-[[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-(ethylcarbamoyl)acetamide
SMILESCCNC(=O)NC(=O)CN[C@H](c1ccc([C@H](C)CC)cc1)C(C)C
InChIInChI=1S/C19H31N3O2/c1-6-14(5)15-8-10-16(11-9-15)18(13(3)4)21-12-17(23)22-19(24)20-7-2/h8-11,13-14,18,21H,6-7,12H2,1-5H3,(H2,20,22,23,24)/t14-,18+/m1/s1
InChIKeyPDZUZTBFSFKSJT-KDOFPFPSSA-N
XLogP3.33
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(ethylcarbamoyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9132089
2-[[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(ethylcarbamoyl)acetamide
CID 9129547
2-[[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-(cyclopropylcarbamoyl)acetamide
CID 8834404
2-[[2-methyl-1-(4-propylphenyl)propyl]amino]-N-(propylcarbamoyl)acetamide
CID 46615152
2-[[(1S)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]acetamide
CID 8834658
2-[[(1S)-2-methyl-1-phenylpropyl]amino]-N-(2-methylpropylcarbamoyl)acetamide
CID 9132325
N-[[(2S)-butan-2-yl]carbamoyl]-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide
CID 8992506
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-[(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
N-[2-(ethylamino)-2-oxoethyl]-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9134101
methyl N-[2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]carbamate
CID 8923650

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-(ethylcarbamoyl)acetamide?
The IUPAC name of 2-[[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-(ethylcarbamoyl)acetamide (CID 8834223) is 2-[[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-(ethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-(ethylcarbamoyl)acetamide?
The canonical SMILES for 2-[[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-(ethylcarbamoyl)acetamide is CCNC(=O)NC(=O)CN[C@H](c1ccc([C@H](C)CC)cc1)C(C)C.
What is the InChIKey of 2-[[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-(ethylcarbamoyl)acetamide?
The InChIKey is PDZUZTBFSFKSJT-KDOFPFPSSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-6-14(5)15-8-10-16(11-9-15)18(13(3)4)21-12-17(23)22-19(24)20-7-2/h8-11,13-14,18,21H,6-7,12H2,1-5H3,(H2,20,22,23,24)/t14-,18+/m1/s1.
What are the key properties of 2-[[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-(ethylcarbamoyl)acetamide?
2-[[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-(ethylcarbamoyl)acetamide has a molecular weight of 333.48 g/mol, XLogP of 3.33, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-(ethylcarbamoyl)acetamide is sourced from PubChem (CID 8834223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).