N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-(2-oxoazepan-1-yl)propanamide

C18H28N4O3 — CID 91779886

IUPACN-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-(2-oxoazepan-1-yl)propanamide
SMILESCn1cc(C(NC(=O)CCN2CCCCCC2=O)C2CC(O)C2)cn1
InChIInChI=1S/C18H28N4O3/c1-21-12-14(11-19-21)18(13-9-15(23)10-13)20-16(24)6-8-22-7-4-2-3-5-17(22)25/h11-13,15,18,23H,2-10H2,1H3,(H,20,24)
InChIKeySEKCRHMJOLASIC-UHFFFAOYSA-N
MW348.45 g/mol
LogP1.14
Rot. Bonds6

About N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-(2-oxoazepan-1-yl)propanamide

N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-(2-oxoazepan-1-yl)propanamide (PubChem CID 91779886) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-(2-oxoazepan-1-yl)propanamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-(2-oxoazepan-1-yl)propanamide
PubChem CID91779886
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC NameN-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-(2-oxoazepan-1-yl)propanamide
SMILESCn1cc(C(NC(=O)CCN2CCCCCC2=O)C2CC(O)C2)cn1
InChIInChI=1S/C18H28N4O3/c1-21-12-14(11-19-21)18(13-9-15(23)10-13)20-16(24)6-8-22-7-4-2-3-5-17(22)25/h11-13,15,18,23H,2-10H2,1H3,(H,20,24)
InChIKeySEKCRHMJOLASIC-UHFFFAOYSA-N
XLogP1.14
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-(2-oxoazepan-1-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-(2-oxopiperidin-1-yl)propanamide
CID 91778980
2-(2,3-dihydroindol-1-yl)-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]acetamide
CID 91782873
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 91784342
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]oxane-4-carboxamide
CID 91780833
N-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-(2-oxoazocan-1-yl)acetamide
CID 126782275
2-(4-fluorophenoxy)-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]acetamide
CID 91781314
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(R)-(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]acetamide
CID 136889983
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 91761841
N-(2-methyl-1-phenylpropyl)-3-(2-oxoazepan-1-yl)propanamide
CID 131945632
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]pyrazine-2-carboxamide
CID 91776644
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-(hydroxymethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 91797284
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
CID 91791981

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-(2-oxoazepan-1-yl)propanamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-(2-oxoazepan-1-yl)propanamide (CID 91779886) is N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-(2-oxoazepan-1-yl)propanamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-(2-oxoazepan-1-yl)propanamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-(2-oxoazepan-1-yl)propanamide is Cn1cc(C(NC(=O)CCN2CCCCCC2=O)C2CC(O)C2)cn1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-(2-oxoazepan-1-yl)propanamide?
The InChIKey is SEKCRHMJOLASIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-21-12-14(11-19-21)18(13-9-15(23)10-13)20-16(24)6-8-22-7-4-2-3-5-17(22)25/h11-13,15,18,23H,2-10H2,1H3,(H,20,24).
What are the key properties of N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-(2-oxoazepan-1-yl)propanamide?
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-(2-oxoazepan-1-yl)propanamide has a molecular weight of 348.45 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-(2-oxoazepan-1-yl)propanamide is sourced from PubChem (CID 91779886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).