N-[(3S)-7-amino-1-[(2,6-dimethyl-4-pyridinyl)oxy]-2-oxoheptan-3-yl]-2-methoxy-2-methylpropanamide

C19H31N3O4 — CID 134347922

IUPACN-[(3S)-7-amino-1-[(2,6-dimethyl-4-pyridinyl)oxy]-2-oxoheptan-3-yl]-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)N[C@@H](CCCCN)C(=O)COc1cc(C)nc(C)c1
InChIInChI=1S/C19H31N3O4/c1-13-10-15(11-14(2)21-13)26-12-17(23)16(8-6-7-9-20)22-18(24)19(3,4)25-5/h10-11,16H,6-9,12,20H2,1-5H3,(H,22,24)/t16-/m0/s1
InChIKeyNXEVMKWEWYUKNA-INIZCTEOSA-N
MW365.47 g/mol
LogP1.69
Rot. Bonds11

About N-[(3S)-7-amino-1-[(2,6-dimethyl-4-pyridinyl)oxy]-2-oxoheptan-3-yl]-2-methoxy-2-methylpropanamide

N-[(3S)-7-amino-1-[(2,6-dimethyl-4-pyridinyl)oxy]-2-oxoheptan-3-yl]-2-methoxy-2-methylpropanamide (PubChem CID 134347922) has the molecular formula C19H31N3O4 and a molecular weight of 365.47 g/mol. Its IUPAC name is N-[(3S)-7-amino-1-[(2,6-dimethyl-4-pyridinyl)oxy]-2-oxoheptan-3-yl]-2-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[(3S)-7-amino-1-[(2,6-dimethyl-4-pyridinyl)oxy]-2-oxoheptan-3-yl]-2-methoxy-2-methylpropanamide
PubChem CID134347922
Molecular FormulaC19H31N3O4
Molecular Weight365.47 g/mol
Exact Mass365.23
IUPAC NameN-[(3S)-7-amino-1-[(2,6-dimethyl-4-pyridinyl)oxy]-2-oxoheptan-3-yl]-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)N[C@@H](CCCCN)C(=O)COc1cc(C)nc(C)c1
InChIInChI=1S/C19H31N3O4/c1-13-10-15(11-14(2)21-13)26-12-17(23)16(8-6-7-9-20)22-18(24)19(3,4)25-5/h10-11,16H,6-9,12,20H2,1-5H3,(H,22,24)/t16-/m0/s1
InChIKeyNXEVMKWEWYUKNA-INIZCTEOSA-N
XLogP1.69
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-7-amino-1-[(2,6-dimethyl-4-pyridinyl)oxy]-2-oxoheptan-3-yl]-2-methoxy-2-methylpropanamide?
The IUPAC name of N-[(3S)-7-amino-1-[(2,6-dimethyl-4-pyridinyl)oxy]-2-oxoheptan-3-yl]-2-methoxy-2-methylpropanamide (CID 134347922) is N-[(3S)-7-amino-1-[(2,6-dimethyl-4-pyridinyl)oxy]-2-oxoheptan-3-yl]-2-methoxy-2-methylpropanamide.
What is the SMILES notation for N-[(3S)-7-amino-1-[(2,6-dimethyl-4-pyridinyl)oxy]-2-oxoheptan-3-yl]-2-methoxy-2-methylpropanamide?
The canonical SMILES for N-[(3S)-7-amino-1-[(2,6-dimethyl-4-pyridinyl)oxy]-2-oxoheptan-3-yl]-2-methoxy-2-methylpropanamide is COC(C)(C)C(=O)N[C@@H](CCCCN)C(=O)COc1cc(C)nc(C)c1.
What is the InChIKey of N-[(3S)-7-amino-1-[(2,6-dimethyl-4-pyridinyl)oxy]-2-oxoheptan-3-yl]-2-methoxy-2-methylpropanamide?
The InChIKey is NXEVMKWEWYUKNA-INIZCTEOSA-N. The full InChI is InChI=1S/C19H31N3O4/c1-13-10-15(11-14(2)21-13)26-12-17(23)16(8-6-7-9-20)22-18(24)19(3,4)25-5/h10-11,16H,6-9,12,20H2,1-5H3,(H,22,24)/t16-/m0/s1.
What are the key properties of N-[(3S)-7-amino-1-[(2,6-dimethyl-4-pyridinyl)oxy]-2-oxoheptan-3-yl]-2-methoxy-2-methylpropanamide?
N-[(3S)-7-amino-1-[(2,6-dimethyl-4-pyridinyl)oxy]-2-oxoheptan-3-yl]-2-methoxy-2-methylpropanamide has a molecular weight of 365.47 g/mol, XLogP of 1.69, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-7-amino-1-[(2,6-dimethyl-4-pyridinyl)oxy]-2-oxoheptan-3-yl]-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 134347922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).