N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2,2-dimethylpropanamide

C19H31N3O — CID 47029367

IUPACN-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2,2-dimethylpropanamide
SMILESCCN1CCN(Cc2ccccc2CNC(=O)C(C)(C)C)CC1
InChIInChI=1S/C19H31N3O/c1-5-21-10-12-22(13-11-21)15-17-9-7-6-8-16(17)14-20-18(23)19(2,3)4/h6-9H,5,10-15H2,1-4H3,(H,20,23)
InChIKeySSVYTXQTICHKOQ-UHFFFAOYSA-N
MW317.48 g/mol
LogP2.49
Rot. Bonds5

About N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2,2-dimethylpropanamide

N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2,2-dimethylpropanamide (PubChem CID 47029367) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2,2-dimethylpropanamide
PubChem CID47029367
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC NameN-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2,2-dimethylpropanamide
SMILESCCN1CCN(Cc2ccccc2CNC(=O)C(C)(C)C)CC1
InChIInChI=1S/C19H31N3O/c1-5-21-10-12-22(13-11-21)15-17-9-7-6-8-16(17)14-20-18(23)19(2,3)4/h6-9H,5,10-15H2,1-4H3,(H,20,23)
InChIKeySSVYTXQTICHKOQ-UHFFFAOYSA-N
XLogP2.49
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 55714907
2,2-dimethyl-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]propanamide
CID 31444039
3-(4-ethylpiperazin-1-yl)-2,2-dimethyl-N-[(2-methylphenyl)methyl]-3-oxopropanamide
CID 108960856
3-amino-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide
CID 119901656
1-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-methylguanidine
CID 110915955
N-[2-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]cyclopropanecarboxamide
CID 55842889
(3S)-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-phenylbutanamide
CID 51948261
2-amino-2-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 119845143
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 55715142
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-(2-methoxyethylamino)acetamide
CID 119901686
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-iodobenzamide
CID 55664630
2,2-dimethyl-N-[2-[[N'-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]carbamimidoyl]amino]ethyl]propanamide
CID 111375743

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2,2-dimethylpropanamide (CID 47029367) is N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2,2-dimethylpropanamide is CCN1CCN(Cc2ccccc2CNC(=O)C(C)(C)C)CC1.
What is the InChIKey of N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2,2-dimethylpropanamide?
The InChIKey is SSVYTXQTICHKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-5-21-10-12-22(13-11-21)15-17-9-7-6-8-16(17)14-20-18(23)19(2,3)4/h6-9H,5,10-15H2,1-4H3,(H,20,23).
What are the key properties of N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2,2-dimethylpropanamide?
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2,2-dimethylpropanamide has a molecular weight of 317.48 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 47029367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).