N-[3-[(1S,2S)-1-(dimethylamino)-2-(propan-2-ylamino)propyl]phenyl]acetamide

C16H27N3O — CID 130470017

IUPACN-[3-[(1S,2S)-1-(dimethylamino)-2-(propan-2-ylamino)propyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc([C@@H]([C@H](C)NC(C)C)N(C)C)c1
InChIInChI=1S/C16H27N3O/c1-11(2)17-12(3)16(19(5)6)14-8-7-9-15(10-14)18-13(4)20/h7-12,16-17H,1-6H3,(H,18,20)/t12-,16+/m0/s1
InChIKeyOPSNCJZISBJNST-BLLLJJGKSA-N
MW277.41 g/mol
LogP2.63
Rot. Bonds6

About N-[3-[(1S,2S)-1-(dimethylamino)-2-(propan-2-ylamino)propyl]phenyl]acetamide

N-[3-[(1S,2S)-1-(dimethylamino)-2-(propan-2-ylamino)propyl]phenyl]acetamide (PubChem CID 130470017) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[3-[(1S,2S)-1-(dimethylamino)-2-(propan-2-ylamino)propyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(1S,2S)-1-(dimethylamino)-2-(propan-2-ylamino)propyl]phenyl]acetamide
PubChem CID130470017
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[3-[(1S,2S)-1-(dimethylamino)-2-(propan-2-ylamino)propyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc([C@@H]([C@H](C)NC(C)C)N(C)C)c1
InChIInChI=1S/C16H27N3O/c1-11(2)17-12(3)16(19(5)6)14-8-7-9-15(10-14)18-13(4)20/h7-12,16-17H,1-6H3,(H,18,20)/t12-,16+/m0/s1
InChIKeyOPSNCJZISBJNST-BLLLJJGKSA-N
XLogP2.63
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(1S,2S)-1-(dimethylamino)-2-(propan-2-ylamino)propyl]phenyl]acetamide?
The IUPAC name of N-[3-[(1S,2S)-1-(dimethylamino)-2-(propan-2-ylamino)propyl]phenyl]acetamide (CID 130470017) is N-[3-[(1S,2S)-1-(dimethylamino)-2-(propan-2-ylamino)propyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[(1S,2S)-1-(dimethylamino)-2-(propan-2-ylamino)propyl]phenyl]acetamide?
The canonical SMILES for N-[3-[(1S,2S)-1-(dimethylamino)-2-(propan-2-ylamino)propyl]phenyl]acetamide is CC(=O)Nc1cccc([C@@H]([C@H](C)NC(C)C)N(C)C)c1.
What is the InChIKey of N-[3-[(1S,2S)-1-(dimethylamino)-2-(propan-2-ylamino)propyl]phenyl]acetamide?
The InChIKey is OPSNCJZISBJNST-BLLLJJGKSA-N. The full InChI is InChI=1S/C16H27N3O/c1-11(2)17-12(3)16(19(5)6)14-8-7-9-15(10-14)18-13(4)20/h7-12,16-17H,1-6H3,(H,18,20)/t12-,16+/m0/s1.
What are the key properties of N-[3-[(1S,2S)-1-(dimethylamino)-2-(propan-2-ylamino)propyl]phenyl]acetamide?
N-[3-[(1S,2S)-1-(dimethylamino)-2-(propan-2-ylamino)propyl]phenyl]acetamide has a molecular weight of 277.41 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1S,2S)-1-(dimethylamino)-2-(propan-2-ylamino)propyl]phenyl]acetamide is sourced from PubChem (CID 130470017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).