1-(benzylamino)-4-propylcycloheptane-1-carboxamide

C18H28N2O — CID 65088717

IUPAC1-(benzylamino)-4-propylcycloheptane-1-carboxamide
SMILESCCCC1CCCC(NCc2ccccc2)(C(N)=O)CC1
InChIInChI=1S/C18H28N2O/c1-2-7-15-10-6-12-18(13-11-15,17(19)21)20-14-16-8-4-3-5-9-16/h3-5,8-9,15,20H,2,6-7,10-14H2,1H3,(H2,19,21)
InChIKeyHAMJLLDMADTVRZ-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.38
Rot. Bonds6

About 1-(benzylamino)-4-propylcycloheptane-1-carboxamide

1-(benzylamino)-4-propylcycloheptane-1-carboxamide (PubChem CID 65088717) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-(benzylamino)-4-propylcycloheptane-1-carboxamide.

Molecular Properties

Compound Name1-(benzylamino)-4-propylcycloheptane-1-carboxamide
PubChem CID65088717
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name1-(benzylamino)-4-propylcycloheptane-1-carboxamide
SMILESCCCC1CCCC(NCc2ccccc2)(C(N)=O)CC1
InChIInChI=1S/C18H28N2O/c1-2-7-15-10-6-12-18(13-11-15,17(19)21)20-14-16-8-4-3-5-9-16/h3-5,8-9,15,20H,2,6-7,10-14H2,1H3,(H2,19,21)
InChIKeyHAMJLLDMADTVRZ-UHFFFAOYSA-N
XLogP3.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(benzylamino)-4-propylcycloheptane-1-carboxamide?
The IUPAC name of 1-(benzylamino)-4-propylcycloheptane-1-carboxamide (CID 65088717) is 1-(benzylamino)-4-propylcycloheptane-1-carboxamide.
What is the SMILES notation for 1-(benzylamino)-4-propylcycloheptane-1-carboxamide?
The canonical SMILES for 1-(benzylamino)-4-propylcycloheptane-1-carboxamide is CCCC1CCCC(NCc2ccccc2)(C(N)=O)CC1.
What is the InChIKey of 1-(benzylamino)-4-propylcycloheptane-1-carboxamide?
The InChIKey is HAMJLLDMADTVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-2-7-15-10-6-12-18(13-11-15,17(19)21)20-14-16-8-4-3-5-9-16/h3-5,8-9,15,20H,2,6-7,10-14H2,1H3,(H2,19,21).
What are the key properties of 1-(benzylamino)-4-propylcycloheptane-1-carboxamide?
1-(benzylamino)-4-propylcycloheptane-1-carboxamide has a molecular weight of 288.43 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzylamino)-4-propylcycloheptane-1-carboxamide is sourced from PubChem (CID 65088717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).