N-[7-amino-1-(dimethylamino)-2-oxoheptan-3-yl]cyclopentanecarboxamide

C15H29N3O2 — CID 134356760

IUPACN-[7-amino-1-(dimethylamino)-2-oxoheptan-3-yl]cyclopentanecarboxamide
SMILESCN(C)CC(=O)C(CCCCN)NC(=O)C1CCCC1
InChIInChI=1S/C15H29N3O2/c1-18(2)11-14(19)13(9-5-6-10-16)17-15(20)12-7-3-4-8-12/h12-13H,3-11,16H2,1-2H3,(H,17,20)
InChIKeyUAJPNXIVLSMVMB-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.92
Rot. Bonds9

About N-[7-amino-1-(dimethylamino)-2-oxoheptan-3-yl]cyclopentanecarboxamide

N-[7-amino-1-(dimethylamino)-2-oxoheptan-3-yl]cyclopentanecarboxamide (PubChem CID 134356760) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[7-amino-1-(dimethylamino)-2-oxoheptan-3-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[7-amino-1-(dimethylamino)-2-oxoheptan-3-yl]cyclopentanecarboxamide
PubChem CID134356760
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC NameN-[7-amino-1-(dimethylamino)-2-oxoheptan-3-yl]cyclopentanecarboxamide
SMILESCN(C)CC(=O)C(CCCCN)NC(=O)C1CCCC1
InChIInChI=1S/C15H29N3O2/c1-18(2)11-14(19)13(9-5-6-10-16)17-15(20)12-7-3-4-8-12/h12-13H,3-11,16H2,1-2H3,(H,17,20)
InChIKeyUAJPNXIVLSMVMB-UHFFFAOYSA-N
XLogP0.92
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.92
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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Frequently Asked Questions

What is the IUPAC name of N-[7-amino-1-(dimethylamino)-2-oxoheptan-3-yl]cyclopentanecarboxamide?
The IUPAC name of N-[7-amino-1-(dimethylamino)-2-oxoheptan-3-yl]cyclopentanecarboxamide (CID 134356760) is N-[7-amino-1-(dimethylamino)-2-oxoheptan-3-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[7-amino-1-(dimethylamino)-2-oxoheptan-3-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[7-amino-1-(dimethylamino)-2-oxoheptan-3-yl]cyclopentanecarboxamide is CN(C)CC(=O)C(CCCCN)NC(=O)C1CCCC1.
What is the InChIKey of N-[7-amino-1-(dimethylamino)-2-oxoheptan-3-yl]cyclopentanecarboxamide?
The InChIKey is UAJPNXIVLSMVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-18(2)11-14(19)13(9-5-6-10-16)17-15(20)12-7-3-4-8-12/h12-13H,3-11,16H2,1-2H3,(H,17,20).
What are the key properties of N-[7-amino-1-(dimethylamino)-2-oxoheptan-3-yl]cyclopentanecarboxamide?
N-[7-amino-1-(dimethylamino)-2-oxoheptan-3-yl]cyclopentanecarboxamide has a molecular weight of 283.42 g/mol, XLogP of 0.92, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-amino-1-(dimethylamino)-2-oxoheptan-3-yl]cyclopentanecarboxamide is sourced from PubChem (CID 134356760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).