2-amino-2-(oxan-4-yl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide

C19H29N3O2 — CID 120798942

IUPAC2-amino-2-(oxan-4-yl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide
SMILESNC(C(=O)Nc1ccc(CCN2CCCC2)cc1)C1CCOCC1
InChIInChI=1S/C19H29N3O2/c20-18(16-8-13-24-14-9-16)19(23)21-17-5-3-15(4-6-17)7-12-22-10-1-2-11-22/h3-6,16,18H,1-2,7-14,20H2,(H,21,23)
InChIKeyRTZLIRBTIPYTCX-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.02
Rot. Bonds6

About 2-amino-2-(oxan-4-yl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide

2-amino-2-(oxan-4-yl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide (PubChem CID 120798942) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-amino-2-(oxan-4-yl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-amino-2-(oxan-4-yl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide
PubChem CID120798942
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name2-amino-2-(oxan-4-yl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide
SMILESNC(C(=O)Nc1ccc(CCN2CCCC2)cc1)C1CCOCC1
InChIInChI=1S/C19H29N3O2/c20-18(16-8-13-24-14-9-16)19(23)21-17-5-3-15(4-6-17)7-12-22-10-1-2-11-22/h3-6,16,18H,1-2,7-14,20H2,(H,21,23)
InChIKeyRTZLIRBTIPYTCX-UHFFFAOYSA-N
XLogP2.02
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[4-(2-morpholin-4-ylethyl)phenyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120798857
2-amino-2-(oxan-4-yl)-N-(4-pentylphenyl)acetamide
CID 120784146
2,2-diphenyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 60575227
4-(aminomethyl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]oxane-4-carboxamide
CID 120939966
N-[4-(acetamidomethyl)phenyl]-2-amino-2-(oxan-4-yl)acetamide
CID 120792716
4-(aminomethyl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]oxane-4-carboxamide;dihydrochloride
CID 120939965
2-amino-3-phenyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]propanamide
CID 119862104
2-amino-2-(oxan-4-yl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 120785656
N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 60575256
1-(oxan-4-yl)-3-[4-(3-pyrrolidin-1-ylpropyl)phenyl]urea
CID 110633807
2-amino-N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-2-(oxan-4-yl)acetamide
CID 120794532
N-[4-[[2-amino-2-(oxan-4-yl)acetyl]amino]phenyl]-3-methylbutanamide
CID 120785588

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(oxan-4-yl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide?
The IUPAC name of 2-amino-2-(oxan-4-yl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide (CID 120798942) is 2-amino-2-(oxan-4-yl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide.
What is the SMILES notation for 2-amino-2-(oxan-4-yl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide?
The canonical SMILES for 2-amino-2-(oxan-4-yl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide is NC(C(=O)Nc1ccc(CCN2CCCC2)cc1)C1CCOCC1.
What is the InChIKey of 2-amino-2-(oxan-4-yl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide?
The InChIKey is RTZLIRBTIPYTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c20-18(16-8-13-24-14-9-16)19(23)21-17-5-3-15(4-6-17)7-12-22-10-1-2-11-22/h3-6,16,18H,1-2,7-14,20H2,(H,21,23).
What are the key properties of 2-amino-2-(oxan-4-yl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide?
2-amino-2-(oxan-4-yl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide has a molecular weight of 331.46 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(oxan-4-yl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide is sourced from PubChem (CID 120798942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).