N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(propan-2-ylcarbamoylamino)benzamide

C20H33N5O2 — CID 60553495

IUPACN-[3-(4-ethylpiperazin-1-yl)propyl]-2-(propan-2-ylcarbamoylamino)benzamide
SMILESCCN1CCN(CCCNC(=O)c2ccccc2NC(=O)NC(C)C)CC1
InChIInChI=1S/C20H33N5O2/c1-4-24-12-14-25(15-13-24)11-7-10-21-19(26)17-8-5-6-9-18(17)23-20(27)22-16(2)3/h5-6,8-9,16H,4,7,10-15H2,1-3H3,(H,21,26)(H2,22,23,27)
InChIKeyPZRIXZFEIJWQEQ-UHFFFAOYSA-N
MW375.52 g/mol
LogP1.97
Rot. Bonds8

About N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(propan-2-ylcarbamoylamino)benzamide

N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(propan-2-ylcarbamoylamino)benzamide (PubChem CID 60553495) has the molecular formula C20H33N5O2 and a molecular weight of 375.52 g/mol. Its IUPAC name is N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(propan-2-ylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-[3-(4-ethylpiperazin-1-yl)propyl]-2-(propan-2-ylcarbamoylamino)benzamide
PubChem CID60553495
Molecular FormulaC20H33N5O2
Molecular Weight375.52 g/mol
Exact Mass375.26
IUPAC NameN-[3-(4-ethylpiperazin-1-yl)propyl]-2-(propan-2-ylcarbamoylamino)benzamide
SMILESCCN1CCN(CCCNC(=O)c2ccccc2NC(=O)NC(C)C)CC1
InChIInChI=1S/C20H33N5O2/c1-4-24-12-14-25(15-13-24)11-7-10-21-19(26)17-8-5-6-9-18(17)23-20(27)22-16(2)3/h5-6,8-9,16H,4,7,10-15H2,1-3H3,(H,21,26)(H2,22,23,27)
InChIKeyPZRIXZFEIJWQEQ-UHFFFAOYSA-N
XLogP1.97
TPSA76.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 51.97
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-butyl-2-(propan-2-ylcarbamoylamino)benzamide
CID 46585555
2-chloro-N-[(2S)-1-[3-(4-ethylpiperazin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 51941916
N-[5-(4-ethylpiperazin-1-yl)pentyl]-2-fluorobenzamide
CID 110444095
N-[3-(N-methylanilino)propyl]-2-(propan-2-ylcarbamoylamino)benzamide
CID 46551983
N-[3-(4-ethylpiperazin-1-yl)propyl]-2-pyrazol-1-ylbenzamide
CID 86823053
N-[3-(4-ethylpiperazin-1-yl)propyl]-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide
CID 78873990
N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide
CID 110442914
1-[2-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea
CID 51281374
2-[(4-chlorophenyl)methoxy]-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
CID 55660052
N-[4-(4-ethylpiperazin-1-yl)butyl]-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide
CID 78871210
2-ethoxy-N-[3-[4-[3-[(2-ethoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 2932757
2-[(4-methylbenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 8781780

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(propan-2-ylcarbamoylamino)benzamide?
The IUPAC name of N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(propan-2-ylcarbamoylamino)benzamide (CID 60553495) is N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(propan-2-ylcarbamoylamino)benzamide.
What is the SMILES notation for N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(propan-2-ylcarbamoylamino)benzamide?
The canonical SMILES for N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(propan-2-ylcarbamoylamino)benzamide is CCN1CCN(CCCNC(=O)c2ccccc2NC(=O)NC(C)C)CC1.
What is the InChIKey of N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(propan-2-ylcarbamoylamino)benzamide?
The InChIKey is PZRIXZFEIJWQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O2/c1-4-24-12-14-25(15-13-24)11-7-10-21-19(26)17-8-5-6-9-18(17)23-20(27)22-16(2)3/h5-6,8-9,16H,4,7,10-15H2,1-3H3,(H,21,26)(H2,22,23,27).
What are the key properties of N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(propan-2-ylcarbamoylamino)benzamide?
N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(propan-2-ylcarbamoylamino)benzamide has a molecular weight of 375.52 g/mol, XLogP of 1.97, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(propan-2-ylcarbamoylamino)benzamide is sourced from PubChem (CID 60553495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).