N-[2-(cyclopropylamino)-2-oxoethyl]-4-methyl-3-(4-propan-2-ylphenyl)pentanamide

C20H30N2O2 — CID 110353882

IUPACN-[2-(cyclopropylamino)-2-oxoethyl]-4-methyl-3-(4-propan-2-ylphenyl)pentanamide
SMILESCC(C)c1ccc(C(CC(=O)NCC(=O)NC2CC2)C(C)C)cc1
InChIInChI=1S/C20H30N2O2/c1-13(2)15-5-7-16(8-6-15)18(14(3)4)11-19(23)21-12-20(24)22-17-9-10-17/h5-8,13-14,17-18H,9-12H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyMMAHTKDUTSSCHI-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.33
Rot. Bonds8

About N-[2-(cyclopropylamino)-2-oxoethyl]-4-methyl-3-(4-propan-2-ylphenyl)pentanamide

N-[2-(cyclopropylamino)-2-oxoethyl]-4-methyl-3-(4-propan-2-ylphenyl)pentanamide (PubChem CID 110353882) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)-2-oxoethyl]-4-methyl-3-(4-propan-2-ylphenyl)pentanamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)-2-oxoethyl]-4-methyl-3-(4-propan-2-ylphenyl)pentanamide
PubChem CID110353882
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC NameN-[2-(cyclopropylamino)-2-oxoethyl]-4-methyl-3-(4-propan-2-ylphenyl)pentanamide
SMILESCC(C)c1ccc(C(CC(=O)NCC(=O)NC2CC2)C(C)C)cc1
InChIInChI=1S/C20H30N2O2/c1-13(2)15-5-7-16(8-6-15)18(14(3)4)11-19(23)21-12-20(24)22-17-9-10-17/h5-8,13-14,17-18H,9-12H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyMMAHTKDUTSSCHI-UHFFFAOYSA-N
XLogP3.33
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(cyclohexylamino)-2-oxoethyl]-3-(4-fluorophenyl)-4-methylpentanamide
CID 110353932
4-propan-2-yl-N-[4-[(4-propan-2-ylbenzoyl)amino]cyclohexyl]benzamide
CID 1001424
N-cyclopropyl-2-[[2-(3-propan-2-ylphenoxy)acetyl]amino]acetamide
CID 46446393
2-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide
CID 107903396
N-cyclopropyl-2-[[4-[1-(methylamino)ethyl]phenyl]carbamoylamino]acetamide
CID 61340222
[2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]azanium
CID 8911428
3-(4-chlorophenyl)-4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pentanamide
CID 110312179
N-cyclopentyl-3-(4-propan-2-ylphenyl)propanamide
CID 19221387
2-[1-(4-bromophenyl)ethylamino]-N-cyclopropylacetamide
CID 43398074
N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110625253
3-(4-chlorophenyl)-4-methyl-N-(oxolan-2-ylmethyl)pentanamide
CID 110297555
2-[1-(4-tert-butylphenyl)ethylamino]-N-cyclopropylacetamide
CID 43568343

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-4-methyl-3-(4-propan-2-ylphenyl)pentanamide?
The IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-4-methyl-3-(4-propan-2-ylphenyl)pentanamide (CID 110353882) is N-[2-(cyclopropylamino)-2-oxoethyl]-4-methyl-3-(4-propan-2-ylphenyl)pentanamide.
What is the SMILES notation for N-[2-(cyclopropylamino)-2-oxoethyl]-4-methyl-3-(4-propan-2-ylphenyl)pentanamide?
The canonical SMILES for N-[2-(cyclopropylamino)-2-oxoethyl]-4-methyl-3-(4-propan-2-ylphenyl)pentanamide is CC(C)c1ccc(C(CC(=O)NCC(=O)NC2CC2)C(C)C)cc1.
What is the InChIKey of N-[2-(cyclopropylamino)-2-oxoethyl]-4-methyl-3-(4-propan-2-ylphenyl)pentanamide?
The InChIKey is MMAHTKDUTSSCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-13(2)15-5-7-16(8-6-15)18(14(3)4)11-19(23)21-12-20(24)22-17-9-10-17/h5-8,13-14,17-18H,9-12H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-(cyclopropylamino)-2-oxoethyl]-4-methyl-3-(4-propan-2-ylphenyl)pentanamide?
N-[2-(cyclopropylamino)-2-oxoethyl]-4-methyl-3-(4-propan-2-ylphenyl)pentanamide has a molecular weight of 330.47 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)-2-oxoethyl]-4-methyl-3-(4-propan-2-ylphenyl)pentanamide is sourced from PubChem (CID 110353882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).