N-[7-amino-5-(aminomethylamino)-6-oxoheptyl]-3-(2,5-dioxopyrrol-1-yl)propanamide

C15H25N5O4 — CID 23526548

IUPACN-[7-amino-5-(aminomethylamino)-6-oxoheptyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
SMILESNCNC(CCCCNC(=O)CCN1C(=O)C=CC1=O)C(=O)CN
InChIInChI=1S/C15H25N5O4/c16-9-12(21)11(19-10-17)3-1-2-7-18-13(22)6-8-20-14(23)4-5-15(20)24/h4-5,11,19H,1-3,6-10,16-17H2,(H,18,22)
InChIKeyFLBXAJUGMBPTNZ-UHFFFAOYSA-N
MW339.40 g/mol
LogP-2.01
Rot. Bonds12

About N-[7-amino-5-(aminomethylamino)-6-oxoheptyl]-3-(2,5-dioxopyrrol-1-yl)propanamide

N-[7-amino-5-(aminomethylamino)-6-oxoheptyl]-3-(2,5-dioxopyrrol-1-yl)propanamide (PubChem CID 23526548) has the molecular formula C15H25N5O4 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[7-amino-5-(aminomethylamino)-6-oxoheptyl]-3-(2,5-dioxopyrrol-1-yl)propanamide.

Molecular Properties

Compound NameN-[7-amino-5-(aminomethylamino)-6-oxoheptyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
PubChem CID23526548
Molecular FormulaC15H25N5O4
Molecular Weight339.40 g/mol
Exact Mass339.19
IUPAC NameN-[7-amino-5-(aminomethylamino)-6-oxoheptyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
SMILESNCNC(CCCCNC(=O)CCN1C(=O)C=CC1=O)C(=O)CN
InChIInChI=1S/C15H25N5O4/c16-9-12(21)11(19-10-17)3-1-2-7-18-13(22)6-8-20-14(23)4-5-15(20)24/h4-5,11,19H,1-3,6-10,16-17H2,(H,18,22)
InChIKeyFLBXAJUGMBPTNZ-UHFFFAOYSA-N
XLogP-2.01
TPSA147.62 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 5-2.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[7-amino-5-(aminomethylamino)-6-oxoheptyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
The IUPAC name of N-[7-amino-5-(aminomethylamino)-6-oxoheptyl]-3-(2,5-dioxopyrrol-1-yl)propanamide (CID 23526548) is N-[7-amino-5-(aminomethylamino)-6-oxoheptyl]-3-(2,5-dioxopyrrol-1-yl)propanamide.
What is the SMILES notation for N-[7-amino-5-(aminomethylamino)-6-oxoheptyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
The canonical SMILES for N-[7-amino-5-(aminomethylamino)-6-oxoheptyl]-3-(2,5-dioxopyrrol-1-yl)propanamide is NCNC(CCCCNC(=O)CCN1C(=O)C=CC1=O)C(=O)CN.
What is the InChIKey of N-[7-amino-5-(aminomethylamino)-6-oxoheptyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
The InChIKey is FLBXAJUGMBPTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O4/c16-9-12(21)11(19-10-17)3-1-2-7-18-13(22)6-8-20-14(23)4-5-15(20)24/h4-5,11,19H,1-3,6-10,16-17H2,(H,18,22).
What are the key properties of N-[7-amino-5-(aminomethylamino)-6-oxoheptyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
N-[7-amino-5-(aminomethylamino)-6-oxoheptyl]-3-(2,5-dioxopyrrol-1-yl)propanamide has a molecular weight of 339.40 g/mol, XLogP of -2.01, 12 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-amino-5-(aminomethylamino)-6-oxoheptyl]-3-(2,5-dioxopyrrol-1-yl)propanamide is sourced from PubChem (CID 23526548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).