N-(cyclopropylmethyl)-2-[3-[1-(methylamino)propyl]pyrrol-1-yl]acetamide

C14H23N3O — CID 79105595

IUPACN-(cyclopropylmethyl)-2-[3-[1-(methylamino)propyl]pyrrol-1-yl]acetamide
SMILESCCC(NC)c1ccn(CC(=O)NCC2CC2)c1
InChIInChI=1S/C14H23N3O/c1-3-13(15-2)12-6-7-17(9-12)10-14(18)16-8-11-4-5-11/h6-7,9,11,13,15H,3-5,8,10H2,1-2H3,(H,16,18)
InChIKeyCIMOTWXBFCKFTM-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.68
Rot. Bonds7

About N-(cyclopropylmethyl)-2-[3-[1-(methylamino)propyl]pyrrol-1-yl]acetamide

N-(cyclopropylmethyl)-2-[3-[1-(methylamino)propyl]pyrrol-1-yl]acetamide (PubChem CID 79105595) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[3-[1-(methylamino)propyl]pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[3-[1-(methylamino)propyl]pyrrol-1-yl]acetamide
PubChem CID79105595
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-(cyclopropylmethyl)-2-[3-[1-(methylamino)propyl]pyrrol-1-yl]acetamide
SMILESCCC(NC)c1ccn(CC(=O)NCC2CC2)c1
InChIInChI=1S/C14H23N3O/c1-3-13(15-2)12-6-7-17(9-12)10-14(18)16-8-11-4-5-11/h6-7,9,11,13,15H,3-5,8,10H2,1-2H3,(H,16,18)
InChIKeyCIMOTWXBFCKFTM-UHFFFAOYSA-N
XLogP1.68
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[3-[1-(methylamino)propyl]pyrrol-1-yl]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[3-[1-(methylamino)propyl]pyrrol-1-yl]acetamide (CID 79105595) is N-(cyclopropylmethyl)-2-[3-[1-(methylamino)propyl]pyrrol-1-yl]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[3-[1-(methylamino)propyl]pyrrol-1-yl]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[3-[1-(methylamino)propyl]pyrrol-1-yl]acetamide is CCC(NC)c1ccn(CC(=O)NCC2CC2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[3-[1-(methylamino)propyl]pyrrol-1-yl]acetamide?
The InChIKey is CIMOTWXBFCKFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-13(15-2)12-6-7-17(9-12)10-14(18)16-8-11-4-5-11/h6-7,9,11,13,15H,3-5,8,10H2,1-2H3,(H,16,18).
What are the key properties of N-(cyclopropylmethyl)-2-[3-[1-(methylamino)propyl]pyrrol-1-yl]acetamide?
N-(cyclopropylmethyl)-2-[3-[1-(methylamino)propyl]pyrrol-1-yl]acetamide has a molecular weight of 249.36 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[3-[1-(methylamino)propyl]pyrrol-1-yl]acetamide is sourced from PubChem (CID 79105595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).