2-[tert-butylcarbamoyl(prop-2-enyl)amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide

C19H32N4O3 — CID 3948114

IUPAC2-[tert-butylcarbamoyl(prop-2-enyl)amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
SMILESC=CCN(CC(=O)N(CCOC)Cc1cccn1C)C(=O)NC(C)(C)C
InChIInChI=1S/C19H32N4O3/c1-7-10-23(18(25)20-19(2,3)4)15-17(24)22(12-13-26-6)14-16-9-8-11-21(16)5/h7-9,11H,1,10,12-15H2,2-6H3,(H,20,25)
InChIKeyXWQYMOVHTRJQSQ-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.00
Rot. Bonds9

About 2-[tert-butylcarbamoyl(prop-2-enyl)amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide

2-[tert-butylcarbamoyl(prop-2-enyl)amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide (PubChem CID 3948114) has the molecular formula C19H32N4O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-[tert-butylcarbamoyl(prop-2-enyl)amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[tert-butylcarbamoyl(prop-2-enyl)amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
PubChem CID3948114
Molecular FormulaC19H32N4O3
Molecular Weight364.49 g/mol
Exact Mass364.25
IUPAC Name2-[tert-butylcarbamoyl(prop-2-enyl)amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
SMILESC=CCN(CC(=O)N(CCOC)Cc1cccn1C)C(=O)NC(C)(C)C
InChIInChI=1S/C19H32N4O3/c1-7-10-23(18(25)20-19(2,3)4)15-17(24)22(12-13-26-6)14-16-9-8-11-21(16)5/h7-9,11H,1,10,12-15H2,2-6H3,(H,20,25)
InChIKeyXWQYMOVHTRJQSQ-UHFFFAOYSA-N
XLogP2.00
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-bromophenyl)carbamoyl-prop-2-enylamino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3270179
2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl-prop-2-enylamino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4222101
N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]-2-(prop-2-enylamino)acetamide
CID 42767342
2-[benzylcarbamoyl(2-methoxyethyl)amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3290612
3-chloro-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2,2-dimethyl-N-propylpropanamide
CID 4315204
ethyl 4-[2-methoxyethyl-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]amino]-4-oxobutanoate
CID 4553190
2-[tert-butylcarbamoyl(propyl)amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3946243
2-[butyl(phenylcarbamoyl)amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3460069
ethyl 4-[(1-methylpyrrol-2-yl)methyl-prop-2-enylamino]-4-oxobutanoate
CID 42759938
N-(2-methoxyethyl)-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 3925702
2-(butylamino)-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 42767338
N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)-3-methylbutanamide
CID 5135866

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butylcarbamoyl(prop-2-enyl)amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The IUPAC name of 2-[tert-butylcarbamoyl(prop-2-enyl)amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide (CID 3948114) is 2-[tert-butylcarbamoyl(prop-2-enyl)amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[tert-butylcarbamoyl(prop-2-enyl)amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The canonical SMILES for 2-[tert-butylcarbamoyl(prop-2-enyl)amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide is C=CCN(CC(=O)N(CCOC)Cc1cccn1C)C(=O)NC(C)(C)C.
What is the InChIKey of 2-[tert-butylcarbamoyl(prop-2-enyl)amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The InChIKey is XWQYMOVHTRJQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O3/c1-7-10-23(18(25)20-19(2,3)4)15-17(24)22(12-13-26-6)14-16-9-8-11-21(16)5/h7-9,11H,1,10,12-15H2,2-6H3,(H,20,25).
What are the key properties of 2-[tert-butylcarbamoyl(prop-2-enyl)amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
2-[tert-butylcarbamoyl(prop-2-enyl)amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide has a molecular weight of 364.49 g/mol, XLogP of 2.00, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butylcarbamoyl(prop-2-enyl)amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide is sourced from PubChem (CID 3948114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).