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

C14H23N3O2 — CID 42767342

IUPACN-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)N(CCOC)Cc1cccn1C
InChIInChI=1S/C14H23N3O2/c1-4-7-15-11-14(18)17(9-10-19-3)12-13-6-5-8-16(13)2/h4-6,8,15H,1,7,9-12H2,2-3H3
InChIKeyABYFYJZRHVRUDB-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.78
Rot. Bonds9

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

N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]-2-(prop-2-enylamino)acetamide (PubChem CID 42767342) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]-2-(prop-2-enylamino)acetamide
PubChem CID42767342
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)N(CCOC)Cc1cccn1C
InChIInChI=1S/C14H23N3O2/c1-4-7-15-11-14(18)17(9-10-19-3)12-13-6-5-8-16(13)2/h4-6,8,15H,1,7,9-12H2,2-3H3
InChIKeyABYFYJZRHVRUDB-UHFFFAOYSA-N
XLogP0.78
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(butylamino)-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 42767338
2-[tert-butylcarbamoyl(prop-2-enyl)amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3948114
2-[(4-bromophenyl)carbamoyl-prop-2-enylamino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3270179
N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-ylpropanamide
CID 4034455
ethyl 4-[2-methoxyethyl-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]amino]-4-oxobutanoate
CID 4553190
2-[benzylcarbamoyl(2-methoxyethyl)amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3290612
2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl-prop-2-enylamino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4222101
2-[butyl(phenylcarbamoyl)amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3460069
N-(2-methoxyethyl)-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 3925702
N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)-3-methylbutanamide
CID 5135866
N-(2-methoxyethyl)-2-[(4-methylphenyl)carbamoyl-propan-2-ylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4660693
N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-methylpropanamide
CID 42767486

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]-2-(prop-2-enylamino)acetamide (CID 42767342) is N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)N(CCOC)Cc1cccn1C.
What is the InChIKey of N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]-2-(prop-2-enylamino)acetamide?
The InChIKey is ABYFYJZRHVRUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-7-15-11-14(18)17(9-10-19-3)12-13-6-5-8-16(13)2/h4-6,8,15H,1,7,9-12H2,2-3H3.
What are the key properties of N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]-2-(prop-2-enylamino)acetamide?
N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]-2-(prop-2-enylamino)acetamide has a molecular weight of 265.36 g/mol, XLogP of 0.78, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 42767342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).