N-[(1R,2R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]cyclopropyl]-2-methylpropanamide

C16H24N2O3 — CID 10541687

IUPACN-[(1R,2R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]cyclopropyl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@@H]1C[C@H]1NC[C@@H](O)COc1ccccc1
InChIInChI=1S/C16H24N2O3/c1-11(2)16(20)18-15-8-14(15)17-9-12(19)10-21-13-6-4-3-5-7-13/h3-7,11-12,14-15,17,19H,8-10H2,1-2H3,(H,18,20)/t12-,14-,15-/m1/s1
InChIKeyQTKCWGIGDWVQSI-BPLDGKMQSA-N
MW292.38 g/mol
LogP0.93
Rot. Bonds8

About N-[(1R,2R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]cyclopropyl]-2-methylpropanamide

N-[(1R,2R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]cyclopropyl]-2-methylpropanamide (PubChem CID 10541687) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[(1R,2R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]cyclopropyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]cyclopropyl]-2-methylpropanamide
PubChem CID10541687
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[(1R,2R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]cyclopropyl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@@H]1C[C@H]1NC[C@@H](O)COc1ccccc1
InChIInChI=1S/C16H24N2O3/c1-11(2)16(20)18-15-8-14(15)17-9-12(19)10-21-13-6-4-3-5-7-13/h3-7,11-12,14-15,17,19H,8-10H2,1-2H3,(H,18,20)/t12-,14-,15-/m1/s1
InChIKeyQTKCWGIGDWVQSI-BPLDGKMQSA-N
XLogP0.93
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(1R,2R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]cyclopropyl]-2-methylpropanamide with MolForge

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Related Compounds

1-[(2-methylcyclopropyl)amino]-3-(4-methylphenoxy)propan-2-ol
CID 62397928
(2R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]propanoic acid
CID 40543805
2-[(2-hydroxy-3-phenoxypropyl)amino]-N-methylpropanamide
CID 54950769
1-[[2-(hydroxymethyl)cyclopentyl]amino]-3-phenoxypropan-2-ol
CID 106360731
(2R)-1-[[(1S,2R)-2-methylcyclohexyl]amino]-3-(4-phenylphenoxy)propan-2-ol
CID 92520942
(2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol
CID 843464
(2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol
CID 7037801
1-[(2-methylcyclopropyl)methylamino]-3-phenoxypropan-2-ol
CID 113463781
(4S,5R)-5-hydroxy-2,4-dimethyl-6-phenoxyhexan-3-one
CID 11390719
(2S,3S)-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-methylpentanoic acid
CID 51412077
(2R)-1-(2-ethylphenoxy)-3-[[(2S)-1-phenoxypropan-2-yl]amino]propan-2-ol
CID 125487724
1-(2-aminopropylamino)-3-phenoxypropan-2-ol
CID 54410968

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]cyclopropyl]-2-methylpropanamide?
The IUPAC name of N-[(1R,2R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]cyclopropyl]-2-methylpropanamide (CID 10541687) is N-[(1R,2R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]cyclopropyl]-2-methylpropanamide.
What is the SMILES notation for N-[(1R,2R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]cyclopropyl]-2-methylpropanamide?
The canonical SMILES for N-[(1R,2R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]cyclopropyl]-2-methylpropanamide is CC(C)C(=O)N[C@@H]1C[C@H]1NC[C@@H](O)COc1ccccc1.
What is the InChIKey of N-[(1R,2R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]cyclopropyl]-2-methylpropanamide?
The InChIKey is QTKCWGIGDWVQSI-BPLDGKMQSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11(2)16(20)18-15-8-14(15)17-9-12(19)10-21-13-6-4-3-5-7-13/h3-7,11-12,14-15,17,19H,8-10H2,1-2H3,(H,18,20)/t12-,14-,15-/m1/s1.
What are the key properties of N-[(1R,2R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]cyclopropyl]-2-methylpropanamide?
N-[(1R,2R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]cyclopropyl]-2-methylpropanamide has a molecular weight of 292.38 g/mol, XLogP of 0.93, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]cyclopropyl]-2-methylpropanamide is sourced from PubChem (CID 10541687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).