2-[[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(ethylcarbamoyl)acetamide

C19H31N3O2 — CID 9129547

IUPAC2-[[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(ethylcarbamoyl)acetamide
SMILESCCNC(=O)NC(=O)CN[C@H](c1ccc(C(C)(C)C)cc1)C(C)C
InChIInChI=1S/C19H31N3O2/c1-7-20-18(24)22-16(23)12-21-17(13(2)3)14-8-10-15(11-9-14)19(4,5)6/h8-11,13,17,21H,7,12H2,1-6H3,(H2,20,22,23,24)/t17-/m0/s1
InChIKeySQZVHSHFHSZFRJ-KRWDZBQOSA-N
MW333.48 g/mol
LogP3.12
Rot. Bonds6

About 2-[[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(ethylcarbamoyl)acetamide

2-[[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(ethylcarbamoyl)acetamide (PubChem CID 9129547) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 2-[[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(ethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(ethylcarbamoyl)acetamide
PubChem CID9129547
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name2-[[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(ethylcarbamoyl)acetamide
SMILESCCNC(=O)NC(=O)CN[C@H](c1ccc(C(C)(C)C)cc1)C(C)C
InChIInChI=1S/C19H31N3O2/c1-7-20-18(24)22-16(23)12-21-17(13(2)3)14-8-10-15(11-9-14)19(4,5)6/h8-11,13,17,21H,7,12H2,1-6H3,(H2,20,22,23,24)/t17-/m0/s1
InChIKeySQZVHSHFHSZFRJ-KRWDZBQOSA-N
XLogP3.12
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-(ethylcarbamoyl)acetamide
CID 8834223
N-(ethylcarbamoyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9132089
2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(2-methylbutan-2-yl)acetamide
CID 18289341
2-[[2-methyl-1-(4-propylphenyl)propyl]amino]-N-(propylcarbamoyl)acetamide
CID 46615152
2-[[(1S)-2-methyl-1-phenylpropyl]amino]-N-(2-methylpropylcarbamoyl)acetamide
CID 9132325
N-[2-(ethylamino)-2-oxoethyl]-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9134101
4-[[2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetyl]amino]-N-methylbenzamide
CID 18089028
N-[[(2S)-butan-2-yl]carbamoyl]-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide
CID 8992506
3-[[2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetyl]amino]-N,N-diethylbenzamide
CID 18228267
2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 18089009
2-[[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-(cyclopropylcarbamoyl)acetamide
CID 8834404
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-tert-butylphenyl)-2-methylpropyl]amino]-N-(ethylcarbamoyl)acetamide?
The IUPAC name of 2-[[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(ethylcarbamoyl)acetamide (CID 9129547) is 2-[[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(ethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(ethylcarbamoyl)acetamide?
The canonical SMILES for 2-[[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(ethylcarbamoyl)acetamide is CCNC(=O)NC(=O)CN[C@H](c1ccc(C(C)(C)C)cc1)C(C)C.
What is the InChIKey of 2-[[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(ethylcarbamoyl)acetamide?
The InChIKey is SQZVHSHFHSZFRJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-7-20-18(24)22-16(23)12-21-17(13(2)3)14-8-10-15(11-9-14)19(4,5)6/h8-11,13,17,21H,7,12H2,1-6H3,(H2,20,22,23,24)/t17-/m0/s1.
What are the key properties of 2-[[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(ethylcarbamoyl)acetamide?
2-[[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(ethylcarbamoyl)acetamide has a molecular weight of 333.48 g/mol, XLogP of 3.12, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(ethylcarbamoyl)acetamide is sourced from PubChem (CID 9129547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).