N-[1-(dimethylamino)propan-2-yl]-2-[[(1S,2R)-2-phenylcyclopropyl]amino]acetamide

C16H25N3O — CID 90654146

IUPACN-[1-(dimethylamino)propan-2-yl]-2-[[(1S,2R)-2-phenylcyclopropyl]amino]acetamide
SMILESCC(CN(C)C)NC(=O)CN[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C16H25N3O/c1-12(11-19(2)3)18-16(20)10-17-15-9-14(15)13-7-5-4-6-8-13/h4-8,12,14-15,17H,9-11H2,1-3H3,(H,18,20)/t12?,14-,15+/m1/s1
InChIKeyQSEZLNBZWLRHRQ-UCWKZMIHSA-N
MW275.40 g/mol
LogP1.20
Rot. Bonds7

About N-[1-(dimethylamino)propan-2-yl]-2-[[(1S,2R)-2-phenylcyclopropyl]amino]acetamide

N-[1-(dimethylamino)propan-2-yl]-2-[[(1S,2R)-2-phenylcyclopropyl]amino]acetamide (PubChem CID 90654146) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[1-(dimethylamino)propan-2-yl]-2-[[(1S,2R)-2-phenylcyclopropyl]amino]acetamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)propan-2-yl]-2-[[(1S,2R)-2-phenylcyclopropyl]amino]acetamide
PubChem CID90654146
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[1-(dimethylamino)propan-2-yl]-2-[[(1S,2R)-2-phenylcyclopropyl]amino]acetamide
SMILESCC(CN(C)C)NC(=O)CN[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C16H25N3O/c1-12(11-19(2)3)18-16(20)10-17-15-9-14(15)13-7-5-4-6-8-13/h4-8,12,14-15,17H,9-11H2,1-3H3,(H,18,20)/t12?,14-,15+/m1/s1
InChIKeyQSEZLNBZWLRHRQ-UCWKZMIHSA-N
XLogP1.20
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)propan-2-yl]-2-[[(1S,2R)-2-phenylcyclopropyl]amino]acetamide?
The IUPAC name of N-[1-(dimethylamino)propan-2-yl]-2-[[(1S,2R)-2-phenylcyclopropyl]amino]acetamide (CID 90654146) is N-[1-(dimethylamino)propan-2-yl]-2-[[(1S,2R)-2-phenylcyclopropyl]amino]acetamide.
What is the SMILES notation for N-[1-(dimethylamino)propan-2-yl]-2-[[(1S,2R)-2-phenylcyclopropyl]amino]acetamide?
The canonical SMILES for N-[1-(dimethylamino)propan-2-yl]-2-[[(1S,2R)-2-phenylcyclopropyl]amino]acetamide is CC(CN(C)C)NC(=O)CN[C@H]1C[C@@H]1c1ccccc1.
What is the InChIKey of N-[1-(dimethylamino)propan-2-yl]-2-[[(1S,2R)-2-phenylcyclopropyl]amino]acetamide?
The InChIKey is QSEZLNBZWLRHRQ-UCWKZMIHSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12(11-19(2)3)18-16(20)10-17-15-9-14(15)13-7-5-4-6-8-13/h4-8,12,14-15,17H,9-11H2,1-3H3,(H,18,20)/t12?,14-,15+/m1/s1.
What are the key properties of N-[1-(dimethylamino)propan-2-yl]-2-[[(1S,2R)-2-phenylcyclopropyl]amino]acetamide?
N-[1-(dimethylamino)propan-2-yl]-2-[[(1S,2R)-2-phenylcyclopropyl]amino]acetamide has a molecular weight of 275.40 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)propan-2-yl]-2-[[(1S,2R)-2-phenylcyclopropyl]amino]acetamide is sourced from PubChem (CID 90654146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).