N-cyclopentyl-2-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]butanamide

C15H26N4O — CID 91839814

IUPACN-cyclopentyl-2-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]butanamide
SMILESCCC(C(=O)NC1CCCC1)N(C)Cc1ncc(C)[nH]1
InChIInChI=1S/C15H26N4O/c1-4-13(15(20)18-12-7-5-6-8-12)19(3)10-14-16-9-11(2)17-14/h9,12-13H,4-8,10H2,1-3H3,(H,16,17)(H,18,20)
InChIKeyVOYVVEZGUDXAEY-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.99
Rot. Bonds6

About N-cyclopentyl-2-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]butanamide

N-cyclopentyl-2-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]butanamide (PubChem CID 91839814) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-cyclopentyl-2-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]butanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]butanamide
PubChem CID91839814
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-cyclopentyl-2-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]butanamide
SMILESCCC(C(=O)NC1CCCC1)N(C)Cc1ncc(C)[nH]1
InChIInChI=1S/C15H26N4O/c1-4-13(15(20)18-12-7-5-6-8-12)19(3)10-14-16-9-11(2)17-14/h9,12-13H,4-8,10H2,1-3H3,(H,16,17)(H,18,20)
InChIKeyVOYVVEZGUDXAEY-UHFFFAOYSA-N
XLogP1.99
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]butanamide?
The IUPAC name of N-cyclopentyl-2-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]butanamide (CID 91839814) is N-cyclopentyl-2-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]butanamide.
What is the SMILES notation for N-cyclopentyl-2-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]butanamide?
The canonical SMILES for N-cyclopentyl-2-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]butanamide is CCC(C(=O)NC1CCCC1)N(C)Cc1ncc(C)[nH]1.
What is the InChIKey of N-cyclopentyl-2-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]butanamide?
The InChIKey is VOYVVEZGUDXAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-13(15(20)18-12-7-5-6-8-12)19(3)10-14-16-9-11(2)17-14/h9,12-13H,4-8,10H2,1-3H3,(H,16,17)(H,18,20).
What are the key properties of N-cyclopentyl-2-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]butanamide?
N-cyclopentyl-2-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]butanamide has a molecular weight of 278.40 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]butanamide is sourced from PubChem (CID 91839814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).