1-[(2-acetamidoacetyl)-(furan-2-ylmethyl)amino]-N-cyclopentylcyclohexane-1-carboxamide

C21H31N3O4 — CID 3955862

IUPAC1-[(2-acetamidoacetyl)-(furan-2-ylmethyl)amino]-N-cyclopentylcyclohexane-1-carboxamide
SMILESCC(=O)NCC(=O)N(Cc1ccco1)C1(C(=O)NC2CCCC2)CCCCC1
InChIInChI=1S/C21H31N3O4/c1-16(25)22-14-19(26)24(15-18-10-7-13-28-18)21(11-5-2-6-12-21)20(27)23-17-8-3-4-9-17/h7,10,13,17H,2-6,8-9,11-12,14-15H2,1H3,(H,22,25)(H,23,27)
InChIKeyMONLCBXVMFYVLV-UHFFFAOYSA-N
MW389.50 g/mol
LogP2.51
Rot. Bonds7

About 1-[(2-acetamidoacetyl)-(furan-2-ylmethyl)amino]-N-cyclopentylcyclohexane-1-carboxamide

1-[(2-acetamidoacetyl)-(furan-2-ylmethyl)amino]-N-cyclopentylcyclohexane-1-carboxamide (PubChem CID 3955862) has the molecular formula C21H31N3O4 and a molecular weight of 389.50 g/mol. Its IUPAC name is 1-[(2-acetamidoacetyl)-(furan-2-ylmethyl)amino]-N-cyclopentylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[(2-acetamidoacetyl)-(furan-2-ylmethyl)amino]-N-cyclopentylcyclohexane-1-carboxamide
PubChem CID3955862
Molecular FormulaC21H31N3O4
Molecular Weight389.50 g/mol
Exact Mass389.23
IUPAC Name1-[(2-acetamidoacetyl)-(furan-2-ylmethyl)amino]-N-cyclopentylcyclohexane-1-carboxamide
SMILESCC(=O)NCC(=O)N(Cc1ccco1)C1(C(=O)NC2CCCC2)CCCCC1
InChIInChI=1S/C21H31N3O4/c1-16(25)22-14-19(26)24(15-18-10-7-13-28-18)21(11-5-2-6-12-21)20(27)23-17-8-3-4-9-17/h7,10,13,17H,2-6,8-9,11-12,14-15H2,1H3,(H,22,25)(H,23,27)
InChIKeyMONLCBXVMFYVLV-UHFFFAOYSA-N
XLogP2.51
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-acetamidoacetyl)-(furan-2-ylmethyl)amino]-N-cyclopentylcyclohexane-1-carboxamide?
The IUPAC name of 1-[(2-acetamidoacetyl)-(furan-2-ylmethyl)amino]-N-cyclopentylcyclohexane-1-carboxamide (CID 3955862) is 1-[(2-acetamidoacetyl)-(furan-2-ylmethyl)amino]-N-cyclopentylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-[(2-acetamidoacetyl)-(furan-2-ylmethyl)amino]-N-cyclopentylcyclohexane-1-carboxamide?
The canonical SMILES for 1-[(2-acetamidoacetyl)-(furan-2-ylmethyl)amino]-N-cyclopentylcyclohexane-1-carboxamide is CC(=O)NCC(=O)N(Cc1ccco1)C1(C(=O)NC2CCCC2)CCCCC1.
What is the InChIKey of 1-[(2-acetamidoacetyl)-(furan-2-ylmethyl)amino]-N-cyclopentylcyclohexane-1-carboxamide?
The InChIKey is MONLCBXVMFYVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O4/c1-16(25)22-14-19(26)24(15-18-10-7-13-28-18)21(11-5-2-6-12-21)20(27)23-17-8-3-4-9-17/h7,10,13,17H,2-6,8-9,11-12,14-15H2,1H3,(H,22,25)(H,23,27).
What are the key properties of 1-[(2-acetamidoacetyl)-(furan-2-ylmethyl)amino]-N-cyclopentylcyclohexane-1-carboxamide?
1-[(2-acetamidoacetyl)-(furan-2-ylmethyl)amino]-N-cyclopentylcyclohexane-1-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-acetamidoacetyl)-(furan-2-ylmethyl)amino]-N-cyclopentylcyclohexane-1-carboxamide is sourced from PubChem (CID 3955862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).