N-(3-amino-3-oxopropyl)-N-methyl-3-pyrrol-1-ylbenzamide

C15H17N3O2 — CID 146087449

IUPACN-(3-amino-3-oxopropyl)-N-methyl-3-pyrrol-1-ylbenzamide
SMILESCN(CCC(N)=O)C(=O)c1cccc(-n2cccc2)c1
InChIInChI=1S/C15H17N3O2/c1-17(10-7-14(16)19)15(20)12-5-4-6-13(11-12)18-8-2-3-9-18/h2-6,8-9,11H,7,10H2,1H3,(H2,16,19)
InChIKeyRDLDIKBNZFHJTI-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.42
Rot. Bonds5

About N-(3-amino-3-oxopropyl)-N-methyl-3-pyrrol-1-ylbenzamide

N-(3-amino-3-oxopropyl)-N-methyl-3-pyrrol-1-ylbenzamide (PubChem CID 146087449) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-N-methyl-3-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-N-methyl-3-pyrrol-1-ylbenzamide
PubChem CID146087449
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-(3-amino-3-oxopropyl)-N-methyl-3-pyrrol-1-ylbenzamide
SMILESCN(CCC(N)=O)C(=O)c1cccc(-n2cccc2)c1
InChIInChI=1S/C15H17N3O2/c1-17(10-7-14(16)19)15(20)12-5-4-6-13(11-12)18-8-2-3-9-18/h2-6,8-9,11H,7,10H2,1H3,(H2,16,19)
InChIKeyRDLDIKBNZFHJTI-UHFFFAOYSA-N
XLogP1.42
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-pyrrol-1-ylbenzamide
CID 17395620
methyl 3-[methyl-(4-pyrrol-1-ylbenzoyl)amino]propanoate
CID 61031076
N-(2-hydroxyethyl)-N-prop-2-enyl-3-pyrrol-1-ylbenzamide
CID 115776195
N-ethyl-N-(3-methylphenyl)-3-pyrrol-1-ylbenzamide
CID 110295328
N-(3-amino-3-oxopropyl)-N-methyl-4-propan-2-ylbenzamide
CID 166591542
N-prop-2-enyl-3-pyrrol-1-ylbenzamide
CID 35154530
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-methyl-3-pyrrol-1-ylbenzamide
CID 17392035
3-[(3-bromobenzoyl)-methylamino]propanoic acid
CID 60989178
3-[[3-(2-amino-2-sulfanylideneethyl)benzoyl]-methylamino]propanoic acid
CID 82178968
3-amino-N-methyl-N-propylbenzamide
CID 43270761
N-(4-acetamidobutyl)-3-pyrrol-1-ylbenzamide
CID 110356799
1-(3-prop-1-en-2-ylphenyl)pyrrole
CID 174651614

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-N-methyl-3-pyrrol-1-ylbenzamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-N-methyl-3-pyrrol-1-ylbenzamide (CID 146087449) is N-(3-amino-3-oxopropyl)-N-methyl-3-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-N-methyl-3-pyrrol-1-ylbenzamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-N-methyl-3-pyrrol-1-ylbenzamide is CN(CCC(N)=O)C(=O)c1cccc(-n2cccc2)c1.
What is the InChIKey of N-(3-amino-3-oxopropyl)-N-methyl-3-pyrrol-1-ylbenzamide?
The InChIKey is RDLDIKBNZFHJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-17(10-7-14(16)19)15(20)12-5-4-6-13(11-12)18-8-2-3-9-18/h2-6,8-9,11H,7,10H2,1H3,(H2,16,19).
What are the key properties of N-(3-amino-3-oxopropyl)-N-methyl-3-pyrrol-1-ylbenzamide?
N-(3-amino-3-oxopropyl)-N-methyl-3-pyrrol-1-ylbenzamide has a molecular weight of 271.32 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-N-methyl-3-pyrrol-1-ylbenzamide is sourced from PubChem (CID 146087449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).