2-acetamido-N-[2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]acetamide

C19H29N3O3 — CID 60559744

IUPAC2-acetamido-N-[2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)NCC(=O)NC(c1ccc(C(C)C)cc1)C(C)C
InChIInChI=1S/C19H29N3O3/c1-12(2)15-6-8-16(9-7-15)19(13(3)4)22-18(25)11-21-17(24)10-20-14(5)23/h6-9,12-13,19H,10-11H2,1-5H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyBPFCEEDYCMAVRR-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.88
Rot. Bonds8

About 2-acetamido-N-[2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]acetamide

2-acetamido-N-[2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]acetamide (PubChem CID 60559744) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-acetamido-N-[2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-acetamido-N-[2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]acetamide
PubChem CID60559744
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name2-acetamido-N-[2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)NCC(=O)NC(c1ccc(C(C)C)cc1)C(C)C
InChIInChI=1S/C19H29N3O3/c1-12(2)15-6-8-16(9-7-15)19(13(3)4)22-18(25)11-21-17(24)10-20-14(5)23/h6-9,12-13,19H,10-11H2,1-5H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyBPFCEEDYCMAVRR-UHFFFAOYSA-N
XLogP1.88
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-N-(4-propan-2-ylphenyl)acetamide
CID 110687041
2-acetamido-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 119526121
2-(4-acetamidophenyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
CID 134015095
N-[2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 112795550
4-amino-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]butanamide;hydrochloride
CID 119272369
2-(benzenesulfonyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
CID 112795627
2-[[2-[(4-propan-2-ylbenzoyl)amino]acetyl]amino]acetic acid
CID 43387473
2-(butan-2-ylamino)-N-[1-(4-chlorophenyl)-2-methylpropyl]acetamide
CID 60719784
N-[2-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 55437912
2-acetamido-N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]acetamide
CID 75501534
N-[1-(4-chlorophenyl)-2-methylpropyl]-2-(ethylamino)acetamide
CID 60718649
4-acetamido-3-(4-propan-2-ylphenyl)butanoic acid
CID 112514869

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]acetamide?
The IUPAC name of 2-acetamido-N-[2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]acetamide (CID 60559744) is 2-acetamido-N-[2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-acetamido-N-[2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-acetamido-N-[2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]acetamide is CC(=O)NCC(=O)NCC(=O)NC(c1ccc(C(C)C)cc1)C(C)C.
What is the InChIKey of 2-acetamido-N-[2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]acetamide?
The InChIKey is BPFCEEDYCMAVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-12(2)15-6-8-16(9-7-15)19(13(3)4)22-18(25)11-21-17(24)10-20-14(5)23/h6-9,12-13,19H,10-11H2,1-5H3,(H,20,23)(H,21,24)(H,22,25).
What are the key properties of 2-acetamido-N-[2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]acetamide?
2-acetamido-N-[2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]acetamide has a molecular weight of 347.46 g/mol, XLogP of 1.88, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]acetamide is sourced from PubChem (CID 60559744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).