3-chloro-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2,2-dimethyl-N-propylpropanamide

C19H32ClN3O3 — CID 4315204

IUPAC3-chloro-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2,2-dimethyl-N-propylpropanamide
SMILESCCCN(CC(=O)N(CCOC)Cc1cccn1C)C(=O)C(C)(C)CCl
InChIInChI=1S/C19H32ClN3O3/c1-6-9-23(18(25)19(2,3)15-20)14-17(24)22(11-12-26-5)13-16-8-7-10-21(16)4/h7-8,10H,6,9,11-15H2,1-5H3
InChIKeySMLCIKHBXHATKL-UHFFFAOYSA-N
MW385.94 g/mol
LogP2.50
Rot. Bonds11

About 3-chloro-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2,2-dimethyl-N-propylpropanamide

3-chloro-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2,2-dimethyl-N-propylpropanamide (PubChem CID 4315204) has the molecular formula C19H32ClN3O3 and a molecular weight of 385.94 g/mol. Its IUPAC name is 3-chloro-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2,2-dimethyl-N-propylpropanamide.

Molecular Properties

Compound Name3-chloro-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2,2-dimethyl-N-propylpropanamide
PubChem CID4315204
Molecular FormulaC19H32ClN3O3
Molecular Weight385.94 g/mol
Exact Mass385.21
IUPAC Name3-chloro-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2,2-dimethyl-N-propylpropanamide
SMILESCCCN(CC(=O)N(CCOC)Cc1cccn1C)C(=O)C(C)(C)CCl
InChIInChI=1S/C19H32ClN3O3/c1-6-9-23(18(25)19(2,3)15-20)14-17(24)22(11-12-26-5)13-16-8-7-10-21(16)4/h7-8,10H,6,9,11-15H2,1-5H3
InChIKeySMLCIKHBXHATKL-UHFFFAOYSA-N
XLogP2.50
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.94
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3-chloro-2,2-dimethyl-N-propylpropanamide
CID 3398275
N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-butylamino]-2-oxoethyl]-3-chloro-N-(2-methoxyethyl)-2,2-dimethylpropanamide
CID 4559951
2-methoxy-N-[(1-methylpyrrol-2-yl)methyl]-N-propylacetamide
CID 42759988
N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propyl-4-(trifluoromethyl)benzamide
CID 3552865
ethyl 4-[2-methoxyethyl-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]amino]-4-oxobutanoate
CID 4553190
N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-methylpropanamide
CID 42767486
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-propan-2-ylpropanamide
CID 4034455
2-[acetyl(3-methoxypropyl)amino]-N-butyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4286427
2-[tert-butylcarbamoyl(prop-2-enyl)amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3948114
2-[butyl(phenylcarbamoyl)amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3460069
N-butyl-4-methoxy-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 4289174

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2,2-dimethyl-N-propylpropanamide?
The IUPAC name of 3-chloro-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2,2-dimethyl-N-propylpropanamide (CID 4315204) is 3-chloro-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2,2-dimethyl-N-propylpropanamide.
What is the SMILES notation for 3-chloro-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2,2-dimethyl-N-propylpropanamide?
The canonical SMILES for 3-chloro-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2,2-dimethyl-N-propylpropanamide is CCCN(CC(=O)N(CCOC)Cc1cccn1C)C(=O)C(C)(C)CCl.
What is the InChIKey of 3-chloro-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2,2-dimethyl-N-propylpropanamide?
The InChIKey is SMLCIKHBXHATKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32ClN3O3/c1-6-9-23(18(25)19(2,3)15-20)14-17(24)22(11-12-26-5)13-16-8-7-10-21(16)4/h7-8,10H,6,9,11-15H2,1-5H3.
What are the key properties of 3-chloro-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2,2-dimethyl-N-propylpropanamide?
3-chloro-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2,2-dimethyl-N-propylpropanamide has a molecular weight of 385.94 g/mol, XLogP of 2.50, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2,2-dimethyl-N-propylpropanamide is sourced from PubChem (CID 4315204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).