3-[acetyl(cyclopropyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide

C17H24N2O3 — CID 113115448

IUPAC3-[acetyl(cyclopropyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1OC(C)C)C1CC1
InChIInChI=1S/C17H24N2O3/c1-12(2)22-16-7-5-4-6-15(16)18-17(21)10-11-19(13(3)20)14-8-9-14/h4-7,12,14H,8-11H2,1-3H3,(H,18,21)
InChIKeyPVZQYUCVPNBCEN-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.81
Rot. Bonds7

About 3-[acetyl(cyclopropyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide

3-[acetyl(cyclopropyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide (PubChem CID 113115448) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-[acetyl(cyclopropyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(cyclopropyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide
PubChem CID113115448
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name3-[acetyl(cyclopropyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1OC(C)C)C1CC1
InChIInChI=1S/C17H24N2O3/c1-12(2)22-16-7-5-4-6-15(16)18-17(21)10-11-19(13(3)20)14-8-9-14/h4-7,12,14H,8-11H2,1-3H3,(H,18,21)
InChIKeyPVZQYUCVPNBCEN-UHFFFAOYSA-N
XLogP2.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl(cyclopropyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113115445
2-[acetyl(cyclohexyl)amino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 113159539
3-[cyclopentyl(methylsulfonyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide
CID 113137315
3-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-propan-2-yloxyphenyl)propanamide
CID 109026791
3-[acetyl(cyclohexyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113116636
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2-propan-2-yloxyphenyl)propanamide
CID 113118495
N-cyclopentyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108942247
3-[butan-2-yl(methylsulfonyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide
CID 113137130
3-(N-acetyl-3-methoxyanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 113128994
3-(N-acetyl-5-chloro-2-methylanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 113127770
1-cyclohexyl-1-[(2R)-2-hydroxypropyl]-3-(2-propan-2-yloxyphenyl)urea
CID 97261269
3-[acetyl(cyclohexyl)amino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 113116640

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(cyclopropyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide?
The IUPAC name of 3-[acetyl(cyclopropyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide (CID 113115448) is 3-[acetyl(cyclopropyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(cyclopropyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for 3-[acetyl(cyclopropyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccccc1OC(C)C)C1CC1.
What is the InChIKey of 3-[acetyl(cyclopropyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide?
The InChIKey is PVZQYUCVPNBCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12(2)22-16-7-5-4-6-15(16)18-17(21)10-11-19(13(3)20)14-8-9-14/h4-7,12,14H,8-11H2,1-3H3,(H,18,21).
What are the key properties of 3-[acetyl(cyclopropyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide?
3-[acetyl(cyclopropyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide has a molecular weight of 304.39 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(cyclopropyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 113115448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).