2,2-dimethyl-N-[3-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]propanamide

C24H31N3O2 — CID 30535421

IUPAC2,2-dimethyl-N-[3-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]propanamide
SMILESCc1ccccc1CN1CCN(C(=O)c2cccc(NC(=O)C(C)(C)C)c2)CC1
InChIInChI=1S/C24H31N3O2/c1-18-8-5-6-9-20(18)17-26-12-14-27(15-13-26)22(28)19-10-7-11-21(16-19)25-23(29)24(2,3)4/h5-11,16H,12-15,17H2,1-4H3,(H,25,29)
InChIKeyHFIZWFQZJGBCDW-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.94
Rot. Bonds4

About 2,2-dimethyl-N-[3-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]propanamide

2,2-dimethyl-N-[3-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]propanamide (PubChem CID 30535421) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[3-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]propanamide
PubChem CID30535421
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name2,2-dimethyl-N-[3-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]propanamide
SMILESCc1ccccc1CN1CCN(C(=O)c2cccc(NC(=O)C(C)(C)C)c2)CC1
InChIInChI=1S/C24H31N3O2/c1-18-8-5-6-9-20(18)17-26-12-14-27(15-13-26)22(28)19-10-7-11-21(16-19)25-23(29)24(2,3)4/h5-11,16H,12-15,17H2,1-4H3,(H,25,29)
InChIKeyHFIZWFQZJGBCDW-UHFFFAOYSA-N
XLogP3.94
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-2,2-dimethylpropanamide
CID 30476118
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone
CID 780102
N-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1-carbonyl]phenyl]-2,2-dimethylpropanamide
CID 99179828
N-tert-butyl-3-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide
CID 8641874
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone;oxalic acid
CID 17366470
N-[3-(4-hydroxypiperidine-1-carbonyl)phenyl]-2,2-dimethylpropanamide
CID 110884052
(3-chlorophenyl)-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 38991861
2,2-dimethyl-N-[3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]phenyl]propanamide
CID 54835732
N-[3-[4-[(4-chloro-2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]prop-2-enamide
CID 166412269
N-[3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]-2,2-dimethylpropanamide
CID 34471106
N-[3-[4-(2-methylbenzoyl)piperazine-1-carbonyl]phenyl]acetamide
CID 110365637
N-(3-methylphenyl)-3-[4-[(2-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]benzenesulfonamide
CID 34743760

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[3-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[3-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]propanamide (CID 30535421) is 2,2-dimethyl-N-[3-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[3-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[3-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]propanamide is Cc1ccccc1CN1CCN(C(=O)c2cccc(NC(=O)C(C)(C)C)c2)CC1.
What is the InChIKey of 2,2-dimethyl-N-[3-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]propanamide?
The InChIKey is HFIZWFQZJGBCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-18-8-5-6-9-20(18)17-26-12-14-27(15-13-26)22(28)19-10-7-11-21(16-19)25-23(29)24(2,3)4/h5-11,16H,12-15,17H2,1-4H3,(H,25,29).
What are the key properties of 2,2-dimethyl-N-[3-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]propanamide?
2,2-dimethyl-N-[3-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]propanamide has a molecular weight of 393.53 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[3-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]propanamide is sourced from PubChem (CID 30535421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).