(2S)-2-acetamido-N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-3-methylbutanamide

C19H29N3O3 — CID 95301519

IUPAC(2S)-2-acetamido-N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-3-methylbutanamide
SMILESCC(=O)N[C@H](C(=O)NCc1ccnc(OC2CCCCC2)c1)C(C)C
InChIInChI=1S/C19H29N3O3/c1-13(2)18(22-14(3)23)19(24)21-12-15-9-10-20-17(11-15)25-16-7-5-4-6-8-16/h9-11,13,16,18H,4-8,12H2,1-3H3,(H,21,24)(H,22,23)/t18-/m0/s1
InChIKeyQMNAPMZTQXSCDL-SFHVURJKSA-N
MW347.46 g/mol
LogP2.57
Rot. Bonds7

About (2S)-2-acetamido-N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-3-methylbutanamide

(2S)-2-acetamido-N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-3-methylbutanamide (PubChem CID 95301519) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is (2S)-2-acetamido-N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-3-methylbutanamide
PubChem CID95301519
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name(2S)-2-acetamido-N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-3-methylbutanamide
SMILESCC(=O)N[C@H](C(=O)NCc1ccnc(OC2CCCCC2)c1)C(C)C
InChIInChI=1S/C19H29N3O3/c1-13(2)18(22-14(3)23)19(24)21-12-15-9-10-20-17(11-15)25-16-7-5-4-6-8-16/h9-11,13,16,18H,4-8,12H2,1-3H3,(H,21,24)(H,22,23)/t18-/m0/s1
InChIKeyQMNAPMZTQXSCDL-SFHVURJKSA-N
XLogP2.57
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-acetamido-N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-3-methylbutanamide (CID 95301519) is (2S)-2-acetamido-N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-acetamido-N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-acetamido-N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-3-methylbutanamide is CC(=O)N[C@H](C(=O)NCc1ccnc(OC2CCCCC2)c1)C(C)C.
What is the InChIKey of (2S)-2-acetamido-N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-3-methylbutanamide?
The InChIKey is QMNAPMZTQXSCDL-SFHVURJKSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-13(2)18(22-14(3)23)19(24)21-12-15-9-10-20-17(11-15)25-16-7-5-4-6-8-16/h9-11,13,16,18H,4-8,12H2,1-3H3,(H,21,24)(H,22,23)/t18-/m0/s1.
What are the key properties of (2S)-2-acetamido-N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-3-methylbutanamide?
(2S)-2-acetamido-N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-3-methylbutanamide has a molecular weight of 347.46 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-3-methylbutanamide is sourced from PubChem (CID 95301519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).