(2R)-2-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]propanamide

C16H23N3O3 — CID 119299388

IUPAC(2R)-2-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]propanamide
SMILESC[C@@H](N)C(=O)NCCc1ccc(OCC(=O)NC2CC2)cc1
InChIInChI=1S/C16H23N3O3/c1-11(17)16(21)18-9-8-12-2-6-14(7-3-12)22-10-15(20)19-13-4-5-13/h2-3,6-7,11,13H,4-5,8-10,17H2,1H3,(H,18,21)(H,19,20)/t11-/m1/s1
InChIKeyANTQMUPNLYJFBT-LLVKDONJSA-N
MW305.38 g/mol
LogP0.35
Rot. Bonds8

About (2R)-2-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]propanamide

(2R)-2-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]propanamide (PubChem CID 119299388) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]propanamide
PubChem CID119299388
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name(2R)-2-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]propanamide
SMILESC[C@@H](N)C(=O)NCCc1ccc(OCC(=O)NC2CC2)cc1
InChIInChI=1S/C16H23N3O3/c1-11(17)16(21)18-9-8-12-2-6-14(7-3-12)22-10-15(20)19-13-4-5-13/h2-3,6-7,11,13H,4-5,8-10,17H2,1H3,(H,18,21)(H,19,20)/t11-/m1/s1
InChIKeyANTQMUPNLYJFBT-LLVKDONJSA-N
XLogP0.35
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-2-(methylamino)acetamide
CID 119741723
1-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119741706
4-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]butanamide
CID 119299396
(2R)-2-amino-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]propanamide;hydrochloride
CID 119288036
2-[4-[2-[[amino-(2-phenylethylamino)methylidene]amino]ethyl]phenoxy]-N-cyclopropylacetamide;hydroiodide
CID 111075226
2-chloro-N-[1-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55894078
N-cyclopropyl-2-[4-[2-[[N-ethyl-N'-(4-methylpentyl)carbamimidoyl]amino]ethyl]phenoxy]acetamide
CID 111943365
2-[4-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]phenoxy]-N-cyclopropylacetamide;hydroiodide
CID 111075242
ethyl 4-[N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-N'-methylcarbamimidoyl]piperazine-1-carboxylate
CID 111163827
2-amino-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 24710031
N-cyclopropyl-2-[4-[2-[[N'-methyl-N-(2-phenoxyethyl)carbamimidoyl]amino]ethyl]phenoxy]acetamide
CID 111006653
N-cyclopropyl-2-[4-[2-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]ethyl]phenoxy]acetamide
CID 109471417

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]propanamide (CID 119299388) is (2R)-2-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]propanamide is C[C@@H](N)C(=O)NCCc1ccc(OCC(=O)NC2CC2)cc1.
What is the InChIKey of (2R)-2-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]propanamide?
The InChIKey is ANTQMUPNLYJFBT-LLVKDONJSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-11(17)16(21)18-9-8-12-2-6-14(7-3-12)22-10-15(20)19-13-4-5-13/h2-3,6-7,11,13H,4-5,8-10,17H2,1H3,(H,18,21)(H,19,20)/t11-/m1/s1.
What are the key properties of (2R)-2-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]propanamide?
(2R)-2-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]propanamide has a molecular weight of 305.38 g/mol, XLogP of 0.35, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]propanamide is sourced from PubChem (CID 119299388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).