N-[4-chloro-3-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]phenyl]butanamide

C16H24ClN3O3 — CID 54831420

IUPACN-[4-chloro-3-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(Cl)c(NCC(=O)NCCCOC)c1
InChIInChI=1S/C16H24ClN3O3/c1-3-5-15(21)20-12-6-7-13(17)14(10-12)19-11-16(22)18-8-4-9-23-2/h6-7,10,19H,3-5,8-9,11H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyKDWSRVJYTRHIFG-UHFFFAOYSA-N
MW341.84 g/mol
LogP2.64
Rot. Bonds10

About N-[4-chloro-3-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]phenyl]butanamide

N-[4-chloro-3-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]phenyl]butanamide (PubChem CID 54831420) has the molecular formula C16H24ClN3O3 and a molecular weight of 341.84 g/mol. Its IUPAC name is N-[4-chloro-3-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-chloro-3-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]phenyl]butanamide
PubChem CID54831420
Molecular FormulaC16H24ClN3O3
Molecular Weight341.84 g/mol
Exact Mass341.15
IUPAC NameN-[4-chloro-3-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(Cl)c(NCC(=O)NCCCOC)c1
InChIInChI=1S/C16H24ClN3O3/c1-3-5-15(21)20-12-6-7-13(17)14(10-12)19-11-16(22)18-8-4-9-23-2/h6-7,10,19H,3-5,8-9,11H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyKDWSRVJYTRHIFG-UHFFFAOYSA-N
XLogP2.64
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-chloro-3-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]phenyl]butanamide
CID 54831228
N-[4-chloro-3-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]phenyl]butanamide
CID 54831206
2-(5-bromo-2-chloroanilino)-N-(3-methoxypropyl)acetamide
CID 55131664
4-[[2-[5-(butanoylamino)-2-chloroanilino]acetyl]amino]-N-methylbenzamide
CID 54831238
N-[4-chloro-3-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]phenyl]butanamide
CID 54830975
N-(3-methoxypropyl)-4-[[2-(2,4,5-trichloroanilino)acetyl]amino]benzamide
CID 54816310
4-[[2-[3-(butanoylamino)anilino]acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54830495
N-[4-chloro-3-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54831351
N-[3-[[2-(2-bromoanilino)-2-oxoethyl]amino]-4-chlorophenyl]butanamide
CID 54831415
2-(4-chloro-2,5-dimethoxyanilino)-N-(3-methoxypropyl)acetamide
CID 60652992
N-[4-chloro-3-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]butanamide
CID 54830982
3-[[2-[5-(butanoylamino)-2-chloroanilino]acetyl]amino]-N,N-dimethylbenzamide
CID 54831270

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]phenyl]butanamide?
The IUPAC name of N-[4-chloro-3-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]phenyl]butanamide (CID 54831420) is N-[4-chloro-3-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]phenyl]butanamide.
What is the SMILES notation for N-[4-chloro-3-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]phenyl]butanamide?
The canonical SMILES for N-[4-chloro-3-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]phenyl]butanamide is CCCC(=O)Nc1ccc(Cl)c(NCC(=O)NCCCOC)c1.
What is the InChIKey of N-[4-chloro-3-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]phenyl]butanamide?
The InChIKey is KDWSRVJYTRHIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O3/c1-3-5-15(21)20-12-6-7-13(17)14(10-12)19-11-16(22)18-8-4-9-23-2/h6-7,10,19H,3-5,8-9,11H2,1-2H3,(H,18,22)(H,20,21).
What are the key properties of N-[4-chloro-3-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]phenyl]butanamide?
N-[4-chloro-3-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]phenyl]butanamide has a molecular weight of 341.84 g/mol, XLogP of 2.64, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]phenyl]butanamide is sourced from PubChem (CID 54831420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).