N-[4-(2-methoxypropanoylamino)phenyl]cyclopropanecarboxamide

C14H18N2O3 — CID 112685719

IUPACN-[4-(2-methoxypropanoylamino)phenyl]cyclopropanecarboxamide
SMILESCOC(C)C(=O)Nc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C14H18N2O3/c1-9(19-2)13(17)15-11-5-7-12(8-6-11)16-14(18)10-3-4-10/h5-10H,3-4H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyKLKRJMGNXYQXDH-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.01
Rot. Bonds5

About N-[4-(2-methoxypropanoylamino)phenyl]cyclopropanecarboxamide

N-[4-(2-methoxypropanoylamino)phenyl]cyclopropanecarboxamide (PubChem CID 112685719) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-[4-(2-methoxypropanoylamino)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(2-methoxypropanoylamino)phenyl]cyclopropanecarboxamide
PubChem CID112685719
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-[4-(2-methoxypropanoylamino)phenyl]cyclopropanecarboxamide
SMILESCOC(C)C(=O)Nc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C14H18N2O3/c1-9(19-2)13(17)15-11-5-7-12(8-6-11)16-14(18)10-3-4-10/h5-10H,3-4H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyKLKRJMGNXYQXDH-UHFFFAOYSA-N
XLogP2.01
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(3-amino-2-methoxypropanoyl)amino]phenyl]cyclopropanecarboxamide
CID 106112552
N-[3-(2-methoxypropanoylamino)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119305159
ethane;N-(4-propan-2-ylphenyl)cyclopropanecarboxamide
CID 143709659
N-[4-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]phenyl]cyclopropanecarboxamide
CID 61252836
N-[4-(carbamoylamino)phenyl]-2-methoxypropanamide
CID 47311851
N-[4-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]cyclopropanecarboxamide
CID 61252642
(2R)-2-methoxy-N-phenylpropanamide
CID 11805321
N-[4-[(2-amino-3,3-dimethylbutanoyl)amino]phenyl]cyclopropanecarboxamide
CID 76896604
N-[3-[(2-methoxypropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 47303341
N-(4-propan-2-ylsulfanylphenyl)cyclopropanecarboxamide
CID 110778678
N-[4-[1-(methylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 43507625
N-[4-(3-methylbutanoylamino)phenyl]cyclopropanecarboxamide
CID 17193989

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxypropanoylamino)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-(2-methoxypropanoylamino)phenyl]cyclopropanecarboxamide (CID 112685719) is N-[4-(2-methoxypropanoylamino)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-(2-methoxypropanoylamino)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-(2-methoxypropanoylamino)phenyl]cyclopropanecarboxamide is COC(C)C(=O)Nc1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-(2-methoxypropanoylamino)phenyl]cyclopropanecarboxamide?
The InChIKey is KLKRJMGNXYQXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9(19-2)13(17)15-11-5-7-12(8-6-11)16-14(18)10-3-4-10/h5-10H,3-4H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-[4-(2-methoxypropanoylamino)phenyl]cyclopropanecarboxamide?
N-[4-(2-methoxypropanoylamino)phenyl]cyclopropanecarboxamide has a molecular weight of 262.31 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxypropanoylamino)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 112685719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).