N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-3-methyl-3-phenylbutanamide

C24H31N3O3 — CID 60596548

IUPACN-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-3-methyl-3-phenylbutanamide
SMILESCOc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)CC(C)(C)c1ccccc1
InChIInChI=1S/C24H31N3O3/c1-24(2,19-8-6-5-7-9-19)17-22(28)25-20-16-18(10-11-21(20)30-4)23(29)27-14-12-26(3)13-15-27/h5-11,16H,12-15,17H2,1-4H3,(H,25,28)
InChIKeyCBJGRMQQZSYJKV-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.39
Rot. Bonds6

About N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-3-methyl-3-phenylbutanamide

N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-3-methyl-3-phenylbutanamide (PubChem CID 60596548) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-3-methyl-3-phenylbutanamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-3-methyl-3-phenylbutanamide
PubChem CID60596548
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC NameN-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-3-methyl-3-phenylbutanamide
SMILESCOc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)CC(C)(C)c1ccccc1
InChIInChI=1S/C24H31N3O3/c1-24(2,19-8-6-5-7-9-19)17-22(28)25-20-16-18(10-11-21(20)30-4)23(29)27-14-12-26(3)13-15-27/h5-11,16H,12-15,17H2,1-4H3,(H,25,28)
InChIKeyCBJGRMQQZSYJKV-UHFFFAOYSA-N
XLogP3.39
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
CID 95178995
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 95178992
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-4-(methylamino)butanamide;dihydrochloride
CID 119866737
7-amino-N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]heptanamide;dihydrochloride
CID 119866731
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 119866736
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-5-(4-methylphenyl)pentanamide
CID 60602041
N-(2,5-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 108944436
3-amino-N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]cyclopentane-1-carboxamide
CID 119866742
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119941665
4,4,4-trifluoro-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]butanamide
CID 71926356
N-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]propanamide
CID 50875914
3-amino-N-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]-3-phenylpropanamide
CID 119950750

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-3-methyl-3-phenylbutanamide?
The IUPAC name of N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-3-methyl-3-phenylbutanamide (CID 60596548) is N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-3-methyl-3-phenylbutanamide.
What is the SMILES notation for N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-3-methyl-3-phenylbutanamide?
The canonical SMILES for N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-3-methyl-3-phenylbutanamide is COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)CC(C)(C)c1ccccc1.
What is the InChIKey of N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-3-methyl-3-phenylbutanamide?
The InChIKey is CBJGRMQQZSYJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-24(2,19-8-6-5-7-9-19)17-22(28)25-20-16-18(10-11-21(20)30-4)23(29)27-14-12-26(3)13-15-27/h5-11,16H,12-15,17H2,1-4H3,(H,25,28).
What are the key properties of N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-3-methyl-3-phenylbutanamide?
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-3-methyl-3-phenylbutanamide has a molecular weight of 409.53 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-3-methyl-3-phenylbutanamide is sourced from PubChem (CID 60596548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).