2-(butylamino)-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide

C15H27N3O2 — CID 42767338

IUPAC2-(butylamino)-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
SMILESCCCCNCC(=O)N(CCOC)Cc1cccn1C
InChIInChI=1S/C15H27N3O2/c1-4-5-8-16-12-15(19)18(10-11-20-3)13-14-7-6-9-17(14)2/h6-7,9,16H,4-5,8,10-13H2,1-3H3
InChIKeyVESALPWDCKFCNI-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.39
Rot. Bonds10

About 2-(butylamino)-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide

2-(butylamino)-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide (PubChem CID 42767338) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-(butylamino)-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(butylamino)-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
PubChem CID42767338
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name2-(butylamino)-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
SMILESCCCCNCC(=O)N(CCOC)Cc1cccn1C
InChIInChI=1S/C15H27N3O2/c1-4-5-8-16-12-15(19)18(10-11-20-3)13-14-7-6-9-17(14)2/h6-7,9,16H,4-5,8,10-13H2,1-3H3
InChIKeyVESALPWDCKFCNI-UHFFFAOYSA-N
XLogP1.39
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]-2-(prop-2-enylamino)acetamide
CID 42767342
N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-methylpropanamide
CID 42767486
2-(butylamino)-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 7225632
N-(3-methoxypropyl)-N-[(1-methylpyrrol-2-yl)methyl]dodecanamide
CID 42759885
2-[butyl(phenylcarbamoyl)amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3460069
2-[acetyl(3-methoxypropyl)amino]-N-butyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4286427
N-butyl-4-methoxy-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 4289174
N-butyl-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]adamantane-1-carboxamide
CID 3458487
2-[butyl-[(3-methoxyphenyl)carbamoyl]amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 5115979
4-butoxy-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)benzamide
CID 5184759
ethyl 4-[2-methoxyethyl-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]amino]-4-oxobutanoate
CID 4553190
N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-ylpropanamide
CID 4034455

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The IUPAC name of 2-(butylamino)-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide (CID 42767338) is 2-(butylamino)-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(butylamino)-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(butylamino)-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide is CCCCNCC(=O)N(CCOC)Cc1cccn1C.
What is the InChIKey of 2-(butylamino)-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The InChIKey is VESALPWDCKFCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-4-5-8-16-12-15(19)18(10-11-20-3)13-14-7-6-9-17(14)2/h6-7,9,16H,4-5,8,10-13H2,1-3H3.
What are the key properties of 2-(butylamino)-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
2-(butylamino)-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide has a molecular weight of 281.40 g/mol, XLogP of 1.39, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide is sourced from PubChem (CID 42767338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).