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

C20H31N3O2 — CID 8834404

IUPAC2-[[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-(cyclopropylcarbamoyl)acetamide
SMILESCC[C@@H](C)c1ccc([C@H](NCC(=O)NC(=O)NC2CC2)C(C)C)cc1
InChIInChI=1S/C20H31N3O2/c1-5-14(4)15-6-8-16(9-7-15)19(13(2)3)21-12-18(24)23-20(25)22-17-10-11-17/h6-9,13-14,17,19,21H,5,10-12H2,1-4H3,(H2,22,23,24,25)/t14-,19-/m1/s1
InChIKeyPQNGKBVOAKBTQQ-AUUYWEPGSA-N
MW345.49 g/mol
LogP3.47
Rot. Bonds8

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

2-[[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-(cyclopropylcarbamoyl)acetamide (PubChem CID 8834404) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 2-[[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-(cyclopropylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-(cyclopropylcarbamoyl)acetamide
PubChem CID8834404
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name2-[[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-(cyclopropylcarbamoyl)acetamide
SMILESCC[C@@H](C)c1ccc([C@H](NCC(=O)NC(=O)NC2CC2)C(C)C)cc1
InChIInChI=1S/C20H31N3O2/c1-5-14(4)15-6-8-16(9-7-15)19(13(2)3)21-12-18(24)23-20(25)22-17-10-11-17/h6-9,13-14,17,19,21H,5,10-12H2,1-4H3,(H2,22,23,24,25)/t14-,19-/m1/s1
InChIKeyPQNGKBVOAKBTQQ-AUUYWEPGSA-N
XLogP3.47
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.47
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-(cyclopentylcarbamoyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9132078
2-[[(R)-[4-[(2S)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]amino]-N-(cyclopropylcarbamoyl)acetamide
CID 8996748
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(cyclopropylcarbamoyl)acetamide
CID 9335295
2-[[(1S)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]acetamide
CID 8834658
N-[[(2S)-butan-2-yl]carbamoyl]-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide
CID 8992506
2-[[(1S)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 8834502
N-(ethylcarbamoyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9132089
(2S)-2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]propanoic acid
CID 83194919
2-[[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(ethylcarbamoyl)acetamide
CID 9129547
2-[4-[2-[[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]amino]acetyl]piperazin-1-yl]-N-methylacetamide
CID 8834464
2-[[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-[2-(2,6-dimethylanilino)-2-oxoethyl]acetamide
CID 8834390

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-(cyclopropylcarbamoyl)acetamide?
The IUPAC name of 2-[[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-(cyclopropylcarbamoyl)acetamide (CID 8834404) is 2-[[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-(cyclopropylcarbamoyl)acetamide.
What is the SMILES notation for 2-[[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-(cyclopropylcarbamoyl)acetamide?
The canonical SMILES for 2-[[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-(cyclopropylcarbamoyl)acetamide is CC[C@@H](C)c1ccc([C@H](NCC(=O)NC(=O)NC2CC2)C(C)C)cc1.
What is the InChIKey of 2-[[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-(cyclopropylcarbamoyl)acetamide?
The InChIKey is PQNGKBVOAKBTQQ-AUUYWEPGSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-5-14(4)15-6-8-16(9-7-15)19(13(2)3)21-12-18(24)23-20(25)22-17-10-11-17/h6-9,13-14,17,19,21H,5,10-12H2,1-4H3,(H2,22,23,24,25)/t14-,19-/m1/s1.
What are the key properties of 2-[[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-(cyclopropylcarbamoyl)acetamide?
2-[[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-(cyclopropylcarbamoyl)acetamide has a molecular weight of 345.49 g/mol, XLogP of 3.47, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-(cyclopropylcarbamoyl)acetamide is sourced from PubChem (CID 8834404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).