N-[4-[(1-hydroxycycloheptyl)methylamino]-4-oxobutan-2-yl]cyclopentanecarboxamide

C18H32N2O3 — CID 111428746

IUPACN-[4-[(1-hydroxycycloheptyl)methylamino]-4-oxobutan-2-yl]cyclopentanecarboxamide
SMILESCC(CC(=O)NCC1(O)CCCCCC1)NC(=O)C1CCCC1
InChIInChI=1S/C18H32N2O3/c1-14(20-17(22)15-8-4-5-9-15)12-16(21)19-13-18(23)10-6-2-3-7-11-18/h14-15,23H,2-13H2,1H3,(H,19,21)(H,20,22)
InChIKeyDZHIDURRMQYCQP-UHFFFAOYSA-N
MW324.47 g/mol
LogP2.27
Rot. Bonds6

About N-[4-[(1-hydroxycycloheptyl)methylamino]-4-oxobutan-2-yl]cyclopentanecarboxamide

N-[4-[(1-hydroxycycloheptyl)methylamino]-4-oxobutan-2-yl]cyclopentanecarboxamide (PubChem CID 111428746) has the molecular formula C18H32N2O3 and a molecular weight of 324.47 g/mol. Its IUPAC name is N-[4-[(1-hydroxycycloheptyl)methylamino]-4-oxobutan-2-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4-[(1-hydroxycycloheptyl)methylamino]-4-oxobutan-2-yl]cyclopentanecarboxamide
PubChem CID111428746
Molecular FormulaC18H32N2O3
Molecular Weight324.47 g/mol
Exact Mass324.24
IUPAC NameN-[4-[(1-hydroxycycloheptyl)methylamino]-4-oxobutan-2-yl]cyclopentanecarboxamide
SMILESCC(CC(=O)NCC1(O)CCCCCC1)NC(=O)C1CCCC1
InChIInChI=1S/C18H32N2O3/c1-14(20-17(22)15-8-4-5-9-15)12-16(21)19-13-18(23)10-6-2-3-7-11-18/h14-15,23H,2-13H2,1H3,(H,19,21)(H,20,22)
InChIKeyDZHIDURRMQYCQP-UHFFFAOYSA-N
XLogP2.27
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-hydroxycycloheptyl)methylamino]-4-oxobutan-2-yl]cyclopentanecarboxamide?
The IUPAC name of N-[4-[(1-hydroxycycloheptyl)methylamino]-4-oxobutan-2-yl]cyclopentanecarboxamide (CID 111428746) is N-[4-[(1-hydroxycycloheptyl)methylamino]-4-oxobutan-2-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4-[(1-hydroxycycloheptyl)methylamino]-4-oxobutan-2-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[4-[(1-hydroxycycloheptyl)methylamino]-4-oxobutan-2-yl]cyclopentanecarboxamide is CC(CC(=O)NCC1(O)CCCCCC1)NC(=O)C1CCCC1.
What is the InChIKey of N-[4-[(1-hydroxycycloheptyl)methylamino]-4-oxobutan-2-yl]cyclopentanecarboxamide?
The InChIKey is DZHIDURRMQYCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O3/c1-14(20-17(22)15-8-4-5-9-15)12-16(21)19-13-18(23)10-6-2-3-7-11-18/h14-15,23H,2-13H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[4-[(1-hydroxycycloheptyl)methylamino]-4-oxobutan-2-yl]cyclopentanecarboxamide?
N-[4-[(1-hydroxycycloheptyl)methylamino]-4-oxobutan-2-yl]cyclopentanecarboxamide has a molecular weight of 324.47 g/mol, XLogP of 2.27, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-hydroxycycloheptyl)methylamino]-4-oxobutan-2-yl]cyclopentanecarboxamide is sourced from PubChem (CID 111428746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).