N-[2-(methylamino)ethyl]-N-[2-[2-[[2-[2-[2-(methylamino)prop-2-enyl-propanoylamino]ethylamino]-2-oxoethyl]-propanoylamino]ethylamino]-2-oxoethyl]propanamide

C24H45N7O5 — CID 58491105

IUPACN-[2-(methylamino)ethyl]-N-[2-[2-[[2-[2-[2-(methylamino)prop-2-enyl-propanoylamino]ethylamino]-2-oxoethyl]-propanoylamino]ethylamino]-2-oxoethyl]propanamide
SMILESC=C(CN(CCNC(=O)CN(CCNC(=O)CN(CCNC)C(=O)CC)C(=O)CC)C(=O)CC)NC
InChIInChI=1S/C24H45N7O5/c1-7-22(34)29(16-19(4)26-6)14-11-27-21(33)18-31(24(36)9-3)15-12-28-20(32)17-30(13-10-25-5)23(35)8-2/h25-26H,4,7-18H2,1-3,5-6H3,(H,27,33)(H,28,32)
InChIKeyWMLBBMSJPVCXDG-UHFFFAOYSA-N
MW511.67 g/mol
LogP-1.11
Rot. Bonds19

About N-[2-(methylamino)ethyl]-N-[2-[2-[[2-[2-[2-(methylamino)prop-2-enyl-propanoylamino]ethylamino]-2-oxoethyl]-propanoylamino]ethylamino]-2-oxoethyl]propanamide

N-[2-(methylamino)ethyl]-N-[2-[2-[[2-[2-[2-(methylamino)prop-2-enyl-propanoylamino]ethylamino]-2-oxoethyl]-propanoylamino]ethylamino]-2-oxoethyl]propanamide (PubChem CID 58491105) has the molecular formula C24H45N7O5 and a molecular weight of 511.67 g/mol. Its IUPAC name is N-[2-(methylamino)ethyl]-N-[2-[2-[[2-[2-[2-(methylamino)prop-2-enyl-propanoylamino]ethylamino]-2-oxoethyl]-propanoylamino]ethylamino]-2-oxoethyl]propanamide.

Molecular Properties

Compound NameN-[2-(methylamino)ethyl]-N-[2-[2-[[2-[2-[2-(methylamino)prop-2-enyl-propanoylamino]ethylamino]-2-oxoethyl]-propanoylamino]ethylamino]-2-oxoethyl]propanamide
PubChem CID58491105
Molecular FormulaC24H45N7O5
Molecular Weight511.67 g/mol
Exact Mass511.35
IUPAC NameN-[2-(methylamino)ethyl]-N-[2-[2-[[2-[2-[2-(methylamino)prop-2-enyl-propanoylamino]ethylamino]-2-oxoethyl]-propanoylamino]ethylamino]-2-oxoethyl]propanamide
SMILESC=C(CN(CCNC(=O)CN(CCNC(=O)CN(CCNC)C(=O)CC)C(=O)CC)C(=O)CC)NC
InChIInChI=1S/C24H45N7O5/c1-7-22(34)29(16-19(4)26-6)14-11-27-21(33)18-31(24(36)9-3)15-12-28-20(32)17-30(13-10-25-5)23(35)8-2/h25-26H,4,7-18H2,1-3,5-6H3,(H,27,33)(H,28,32)
InChIKeyWMLBBMSJPVCXDG-UHFFFAOYSA-N
XLogP-1.11
TPSA143.19 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.67
LogP ≤ 5-1.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)ethyl]-N-[2-[2-[[2-[2-[2-(methylamino)prop-2-enyl-propanoylamino]ethylamino]-2-oxoethyl]-propanoylamino]ethylamino]-2-oxoethyl]propanamide?
The IUPAC name of N-[2-(methylamino)ethyl]-N-[2-[2-[[2-[2-[2-(methylamino)prop-2-enyl-propanoylamino]ethylamino]-2-oxoethyl]-propanoylamino]ethylamino]-2-oxoethyl]propanamide (CID 58491105) is N-[2-(methylamino)ethyl]-N-[2-[2-[[2-[2-[2-(methylamino)prop-2-enyl-propanoylamino]ethylamino]-2-oxoethyl]-propanoylamino]ethylamino]-2-oxoethyl]propanamide.
What is the SMILES notation for N-[2-(methylamino)ethyl]-N-[2-[2-[[2-[2-[2-(methylamino)prop-2-enyl-propanoylamino]ethylamino]-2-oxoethyl]-propanoylamino]ethylamino]-2-oxoethyl]propanamide?
The canonical SMILES for N-[2-(methylamino)ethyl]-N-[2-[2-[[2-[2-[2-(methylamino)prop-2-enyl-propanoylamino]ethylamino]-2-oxoethyl]-propanoylamino]ethylamino]-2-oxoethyl]propanamide is C=C(CN(CCNC(=O)CN(CCNC(=O)CN(CCNC)C(=O)CC)C(=O)CC)C(=O)CC)NC.
What is the InChIKey of N-[2-(methylamino)ethyl]-N-[2-[2-[[2-[2-[2-(methylamino)prop-2-enyl-propanoylamino]ethylamino]-2-oxoethyl]-propanoylamino]ethylamino]-2-oxoethyl]propanamide?
The InChIKey is WMLBBMSJPVCXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45N7O5/c1-7-22(34)29(16-19(4)26-6)14-11-27-21(33)18-31(24(36)9-3)15-12-28-20(32)17-30(13-10-25-5)23(35)8-2/h25-26H,4,7-18H2,1-3,5-6H3,(H,27,33)(H,28,32).
What are the key properties of N-[2-(methylamino)ethyl]-N-[2-[2-[[2-[2-[2-(methylamino)prop-2-enyl-propanoylamino]ethylamino]-2-oxoethyl]-propanoylamino]ethylamino]-2-oxoethyl]propanamide?
N-[2-(methylamino)ethyl]-N-[2-[2-[[2-[2-[2-(methylamino)prop-2-enyl-propanoylamino]ethylamino]-2-oxoethyl]-propanoylamino]ethylamino]-2-oxoethyl]propanamide has a molecular weight of 511.67 g/mol, XLogP of -1.11, 19 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)ethyl]-N-[2-[2-[[2-[2-[2-(methylamino)prop-2-enyl-propanoylamino]ethylamino]-2-oxoethyl]-propanoylamino]ethylamino]-2-oxoethyl]propanamide is sourced from PubChem (CID 58491105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).