N-carbamoyl-3-(4-propan-2-yloxyphenyl)propanamide

C13H18N2O3 — CID 173014561

IUPACN-carbamoyl-3-(4-propan-2-yloxyphenyl)propanamide
SMILESCC(C)Oc1ccc(CCC(=O)NC(N)=O)cc1
InChIInChI=1S/C13H18N2O3/c1-9(2)18-11-6-3-10(4-7-11)5-8-12(16)15-13(14)17/h3-4,6-7,9H,5,8H2,1-2H3,(H3,14,15,16,17)
InChIKeyMCOXTCXFPZKLGV-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.60
Rot. Bonds5

About N-carbamoyl-3-(4-propan-2-yloxyphenyl)propanamide

N-carbamoyl-3-(4-propan-2-yloxyphenyl)propanamide (PubChem CID 173014561) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-carbamoyl-3-(4-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound NameN-carbamoyl-3-(4-propan-2-yloxyphenyl)propanamide
PubChem CID173014561
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-carbamoyl-3-(4-propan-2-yloxyphenyl)propanamide
SMILESCC(C)Oc1ccc(CCC(=O)NC(N)=O)cc1
InChIInChI=1S/C13H18N2O3/c1-9(2)18-11-6-3-10(4-7-11)5-8-12(16)15-13(14)17/h3-4,6-7,9H,5,8H2,1-2H3,(H3,14,15,16,17)
InChIKeyMCOXTCXFPZKLGV-UHFFFAOYSA-N
XLogP1.60
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
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3-(3,4-dimethoxyphenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide
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3-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethylideneamino)propanamide
CID 915937
N-[2-(2-butoxyethoxy)ethyl]-3-(4-propan-2-yloxyphenyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-3-(4-propan-2-yloxyphenyl)propanamide?
The IUPAC name of N-carbamoyl-3-(4-propan-2-yloxyphenyl)propanamide (CID 173014561) is N-carbamoyl-3-(4-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for N-carbamoyl-3-(4-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for N-carbamoyl-3-(4-propan-2-yloxyphenyl)propanamide is CC(C)Oc1ccc(CCC(=O)NC(N)=O)cc1.
What is the InChIKey of N-carbamoyl-3-(4-propan-2-yloxyphenyl)propanamide?
The InChIKey is MCOXTCXFPZKLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9(2)18-11-6-3-10(4-7-11)5-8-12(16)15-13(14)17/h3-4,6-7,9H,5,8H2,1-2H3,(H3,14,15,16,17).
What are the key properties of N-carbamoyl-3-(4-propan-2-yloxyphenyl)propanamide?
N-carbamoyl-3-(4-propan-2-yloxyphenyl)propanamide has a molecular weight of 250.30 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-3-(4-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 173014561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).