ethane;2-methyl-N-[3-[4-[3-(prop-1-en-2-ylamino)propyl]piperazin-1-yl]propyl]propanamide

C23H52N4O — CID 170603278

IUPACethane;2-methyl-N-[3-[4-[3-(prop-1-en-2-ylamino)propyl]piperazin-1-yl]propyl]propanamide
SMILESC=C(C)NCCCN1CCN(CCCNC(=O)C(C)C)CC1.CC.CC.CC
InChIInChI=1S/C17H34N4O.3C2H6/c1-15(2)17(22)19-8-6-10-21-13-11-20(12-14-21)9-5-7-18-16(3)4;3*1-2/h15,18H,3,5-14H2,1-2,4H3,(H,19,22);3*1-2H3
InChIKeyCUCBSZKMDAKXAN-UHFFFAOYSA-N
MW400.70 g/mol
LogP4.36
Rot. Bonds10

About ethane;2-methyl-N-[3-[4-[3-(prop-1-en-2-ylamino)propyl]piperazin-1-yl]propyl]propanamide

ethane;2-methyl-N-[3-[4-[3-(prop-1-en-2-ylamino)propyl]piperazin-1-yl]propyl]propanamide (PubChem CID 170603278) has the molecular formula C23H52N4O and a molecular weight of 400.70 g/mol. Its IUPAC name is ethane;2-methyl-N-[3-[4-[3-(prop-1-en-2-ylamino)propyl]piperazin-1-yl]propyl]propanamide.

Molecular Properties

Compound Nameethane;2-methyl-N-[3-[4-[3-(prop-1-en-2-ylamino)propyl]piperazin-1-yl]propyl]propanamide
PubChem CID170603278
Molecular FormulaC23H52N4O
Molecular Weight400.70 g/mol
Exact Mass400.41
IUPAC Nameethane;2-methyl-N-[3-[4-[3-(prop-1-en-2-ylamino)propyl]piperazin-1-yl]propyl]propanamide
SMILESC=C(C)NCCCN1CCN(CCCNC(=O)C(C)C)CC1.CC.CC.CC
InChIInChI=1S/C17H34N4O.3C2H6/c1-15(2)17(22)19-8-6-10-21-13-11-20(12-14-21)9-5-7-18-16(3)4;3*1-2/h15,18H,3,5-14H2,1-2,4H3,(H,19,22);3*1-2H3
InChIKeyCUCBSZKMDAKXAN-UHFFFAOYSA-N
XLogP4.36
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.70
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[3-[4-(3-methylbutanoyl)piperazin-1-yl]propyl]propanamide
CID 129177596
N-[5-(azepan-1-yl)pentyl]-2-methylpropanamide
CID 110441883
ethane;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 178091821
3-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 55104284
2-bromo-3-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide
CID 61251741
2-methyl-N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]propanamide
CID 168837908
4-methyl-N-[3-[4-[3-[2-(2-methylpropanoylamino)ethoxy]propanoyl]piperazin-1-yl]propyl]pentanamide
CID 168721590
2-methyl-N-[2-[[N'-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]ethyl]propanamide
CID 111387677
N-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methylpropanamide
CID 82163304
2-bromo-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide
CID 62854713
N-[4-(4-methylpiperazin-1-yl)butyl]acetamide
CID 110459248
2,2,2-trichloro-N-[3-[4-[3-[(2,2,2-trichloroacetyl)amino]propyl]piperazin-1-yl]propyl]acetamide
CID 5084928

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-N-[3-[4-[3-(prop-1-en-2-ylamino)propyl]piperazin-1-yl]propyl]propanamide?
The IUPAC name of ethane;2-methyl-N-[3-[4-[3-(prop-1-en-2-ylamino)propyl]piperazin-1-yl]propyl]propanamide (CID 170603278) is ethane;2-methyl-N-[3-[4-[3-(prop-1-en-2-ylamino)propyl]piperazin-1-yl]propyl]propanamide.
What is the SMILES notation for ethane;2-methyl-N-[3-[4-[3-(prop-1-en-2-ylamino)propyl]piperazin-1-yl]propyl]propanamide?
The canonical SMILES for ethane;2-methyl-N-[3-[4-[3-(prop-1-en-2-ylamino)propyl]piperazin-1-yl]propyl]propanamide is C=C(C)NCCCN1CCN(CCCNC(=O)C(C)C)CC1.CC.CC.CC.
What is the InChIKey of ethane;2-methyl-N-[3-[4-[3-(prop-1-en-2-ylamino)propyl]piperazin-1-yl]propyl]propanamide?
The InChIKey is CUCBSZKMDAKXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O.3C2H6/c1-15(2)17(22)19-8-6-10-21-13-11-20(12-14-21)9-5-7-18-16(3)4;3*1-2/h15,18H,3,5-14H2,1-2,4H3,(H,19,22);3*1-2H3.
What are the key properties of ethane;2-methyl-N-[3-[4-[3-(prop-1-en-2-ylamino)propyl]piperazin-1-yl]propyl]propanamide?
ethane;2-methyl-N-[3-[4-[3-(prop-1-en-2-ylamino)propyl]piperazin-1-yl]propyl]propanamide has a molecular weight of 400.70 g/mol, XLogP of 4.36, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-N-[3-[4-[3-(prop-1-en-2-ylamino)propyl]piperazin-1-yl]propyl]propanamide is sourced from PubChem (CID 170603278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).