N-cyclopropyl-2-[(2-oxoazepan-4-yl)amino]propanamide

C12H21N3O2 — CID 113406853

IUPACN-cyclopropyl-2-[(2-oxoazepan-4-yl)amino]propanamide
SMILESCC(NC1CCCNC(=O)C1)C(=O)NC1CC1
InChIInChI=1S/C12H21N3O2/c1-8(12(17)15-9-4-5-9)14-10-3-2-6-13-11(16)7-10/h8-10,14H,2-7H2,1H3,(H,13,16)(H,15,17)
InChIKeyYWAFADOHHFHWMW-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.09
Rot. Bonds4

About N-cyclopropyl-2-[(2-oxoazepan-4-yl)amino]propanamide

N-cyclopropyl-2-[(2-oxoazepan-4-yl)amino]propanamide (PubChem CID 113406853) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-cyclopropyl-2-[(2-oxoazepan-4-yl)amino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(2-oxoazepan-4-yl)amino]propanamide
PubChem CID113406853
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-cyclopropyl-2-[(2-oxoazepan-4-yl)amino]propanamide
SMILESCC(NC1CCCNC(=O)C1)C(=O)NC1CC1
InChIInChI=1S/C12H21N3O2/c1-8(12(17)15-9-4-5-9)14-10-3-2-6-13-11(16)7-10/h8-10,14H,2-7H2,1H3,(H,13,16)(H,15,17)
InChIKeyYWAFADOHHFHWMW-UHFFFAOYSA-N
XLogP-0.09
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(2-oxoazepan-4-yl)amino]propanamide?
The IUPAC name of N-cyclopropyl-2-[(2-oxoazepan-4-yl)amino]propanamide (CID 113406853) is N-cyclopropyl-2-[(2-oxoazepan-4-yl)amino]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[(2-oxoazepan-4-yl)amino]propanamide?
The canonical SMILES for N-cyclopropyl-2-[(2-oxoazepan-4-yl)amino]propanamide is CC(NC1CCCNC(=O)C1)C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[(2-oxoazepan-4-yl)amino]propanamide?
The InChIKey is YWAFADOHHFHWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-8(12(17)15-9-4-5-9)14-10-3-2-6-13-11(16)7-10/h8-10,14H,2-7H2,1H3,(H,13,16)(H,15,17).
What are the key properties of N-cyclopropyl-2-[(2-oxoazepan-4-yl)amino]propanamide?
N-cyclopropyl-2-[(2-oxoazepan-4-yl)amino]propanamide has a molecular weight of 239.32 g/mol, XLogP of -0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(2-oxoazepan-4-yl)amino]propanamide is sourced from PubChem (CID 113406853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).