formic acid;2-methoxy-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]butanamide

C17H32N2O4 — CID 154909466

IUPACformic acid;2-methoxy-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]butanamide
SMILESCCC(OC)C(=O)NCC1(N2CCCC2)CCCCC1.O=CO
InChIInChI=1S/C16H30N2O2.CH2O2/c1-3-14(20-2)15(19)17-13-16(9-5-4-6-10-16)18-11-7-8-12-18;2-1-3/h14H,3-13H2,1-2H3,(H,17,19);1H,(H,2,3)
InChIKeyILXJZJFTIONWPB-UHFFFAOYSA-N
MW328.45 g/mol
LogP2.03
Rot. Bonds6

About formic acid;2-methoxy-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]butanamide

formic acid;2-methoxy-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]butanamide (PubChem CID 154909466) has the molecular formula C17H32N2O4 and a molecular weight of 328.45 g/mol. Its IUPAC name is formic acid;2-methoxy-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]butanamide.

Molecular Properties

Compound Nameformic acid;2-methoxy-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]butanamide
PubChem CID154909466
Molecular FormulaC17H32N2O4
Molecular Weight328.45 g/mol
Exact Mass328.24
IUPAC Nameformic acid;2-methoxy-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]butanamide
SMILESCCC(OC)C(=O)NCC1(N2CCCC2)CCCCC1.O=CO
InChIInChI=1S/C16H30N2O2.CH2O2/c1-3-14(20-2)15(19)17-13-16(9-5-4-6-10-16)18-11-7-8-12-18;2-1-3/h14H,3-13H2,1-2H3,(H,17,19);1H,(H,2,3)
InChIKeyILXJZJFTIONWPB-UHFFFAOYSA-N
XLogP2.03
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide
CID 60716987
N-(1,2,3,4,6,7,8,9-octahydroquinolizin-9a-ylmethyl)acetamide
CID 121011981
3-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]but-2-enamide
CID 102603401
2-(cyclopropylmethylamino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide;hydrochloride
CID 119682315
(2S)-2-amino-N-[(4-piperidin-1-yloxan-4-yl)methyl]butanamide
CID 119886716
2-amino-3-methoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 120983514
N-[(1-piperidin-1-ylcyclohexyl)methyl]ethanamine;dihydrochloride
CID 21409916
(2R)-2-amino-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]propanamide;trihydrochloride
CID 119903533
4-(methylamino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]butanamide
CID 61249197
methyl 2-methyl-3-[[N'-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]carbamimidoyl]amino]propanoate;hydroiodide
CID 111292738
(2R)-2-amino-N-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]propanamide;dihydrochloride
CID 119882208
4-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]piperidine-4-carboxamide
CID 119682329

Frequently Asked Questions

What is the IUPAC name of formic acid;2-methoxy-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]butanamide?
The IUPAC name of formic acid;2-methoxy-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]butanamide (CID 154909466) is formic acid;2-methoxy-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]butanamide.
What is the SMILES notation for formic acid;2-methoxy-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]butanamide?
The canonical SMILES for formic acid;2-methoxy-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]butanamide is CCC(OC)C(=O)NCC1(N2CCCC2)CCCCC1.O=CO.
What is the InChIKey of formic acid;2-methoxy-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]butanamide?
The InChIKey is ILXJZJFTIONWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2.CH2O2/c1-3-14(20-2)15(19)17-13-16(9-5-4-6-10-16)18-11-7-8-12-18;2-1-3/h14H,3-13H2,1-2H3,(H,17,19);1H,(H,2,3).
What are the key properties of formic acid;2-methoxy-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]butanamide?
formic acid;2-methoxy-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]butanamide has a molecular weight of 328.45 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;2-methoxy-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]butanamide is sourced from PubChem (CID 154909466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).