N-[[(2S)-butan-2-yl]carbamoyl]-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide

C19H31N3O2 — CID 8992506

IUPACN-[[(2S)-butan-2-yl]carbamoyl]-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide
SMILESCCc1ccc([C@@H](NCC(=O)NC(=O)N[C@@H](C)CC)C(C)C)cc1
InChIInChI=1S/C19H31N3O2/c1-6-14(5)21-19(24)22-17(23)12-20-18(13(3)4)16-10-8-15(7-2)9-11-16/h8-11,13-14,18,20H,6-7,12H2,1-5H3,(H2,21,22,23,24)/t14-,18-/m0/s1
InChIKeyPQQXNIQUWCTHSO-KSSFIOAISA-N
MW333.48 g/mol
LogP3.16
Rot. Bonds8

About N-[[(2S)-butan-2-yl]carbamoyl]-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide

N-[[(2S)-butan-2-yl]carbamoyl]-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide (PubChem CID 8992506) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is N-[[(2S)-butan-2-yl]carbamoyl]-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide.

Molecular Properties

Compound NameN-[[(2S)-butan-2-yl]carbamoyl]-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide
PubChem CID8992506
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC NameN-[[(2S)-butan-2-yl]carbamoyl]-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide
SMILESCCc1ccc([C@@H](NCC(=O)NC(=O)N[C@@H](C)CC)C(C)C)cc1
InChIInChI=1S/C19H31N3O2/c1-6-14(5)21-19(24)22-17(23)12-20-18(13(3)4)16-10-8-15(7-2)9-11-16/h8-11,13-14,18,20H,6-7,12H2,1-5H3,(H2,21,22,23,24)/t14-,18-/m0/s1
InChIKeyPQQXNIQUWCTHSO-KSSFIOAISA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[[(2S)-butan-2-yl]carbamoyl]-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide with MolForge

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Related Compounds

2-(butan-2-ylamino)-N-[1-(4-ethylphenyl)-2-methylpropyl]acetamide
CID 60684128
N-butan-2-yl-2-[1-(4-ethylphenyl)ethylamino]acetamide
CID 60693867
2-[[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-(ethylcarbamoyl)acetamide
CID 8834223
2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 8992755
2-[[2-methyl-1-(4-propylphenyl)propyl]amino]-N-(propylcarbamoyl)acetamide
CID 46615152
2-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[1-(furan-2-yl)ethyl]acetamide
CID 86911674
2-(benzhydrylamino)-N-[[(2S)-butan-2-yl]carbamoyl]acetamide
CID 8545632
N-benzyl-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide
CID 8991910
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium
CID 8907739
N-(ethylcarbamoyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9132089
(2S,3S)-2-amino-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylpentanamide
CID 61273458
2-[[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(ethylcarbamoyl)acetamide
CID 9129547

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-butan-2-yl]carbamoyl]-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide?
The IUPAC name of N-[[(2S)-butan-2-yl]carbamoyl]-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide (CID 8992506) is N-[[(2S)-butan-2-yl]carbamoyl]-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide.
What is the SMILES notation for N-[[(2S)-butan-2-yl]carbamoyl]-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide?
The canonical SMILES for N-[[(2S)-butan-2-yl]carbamoyl]-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide is CCc1ccc([C@@H](NCC(=O)NC(=O)N[C@@H](C)CC)C(C)C)cc1.
What is the InChIKey of N-[[(2S)-butan-2-yl]carbamoyl]-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide?
The InChIKey is PQQXNIQUWCTHSO-KSSFIOAISA-N. The full InChI is InChI=1S/C19H31N3O2/c1-6-14(5)21-19(24)22-17(23)12-20-18(13(3)4)16-10-8-15(7-2)9-11-16/h8-11,13-14,18,20H,6-7,12H2,1-5H3,(H2,21,22,23,24)/t14-,18-/m0/s1.
What are the key properties of N-[[(2S)-butan-2-yl]carbamoyl]-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide?
N-[[(2S)-butan-2-yl]carbamoyl]-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide has a molecular weight of 333.48 g/mol, XLogP of 3.16, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-butan-2-yl]carbamoyl]-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide is sourced from PubChem (CID 8992506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).